This codebook.txt file was generated on 20201118by Akash Arora ------------------- GENERAL INFORMATION ------------------- 1. Title of Dataset Data for Order and Disorder in ABCA′ Tetrablock Terpolymers 2. Author Information Principal Investigator Contact Information Name:Kevin D. Dorfman Institution: University of Minnesota Email:dorfman@umn.edu ORCID:0000-0003-0065-5157 Associate or Co-investigator Contact Information Name: Marc A. Hillmyer Institution: University of Minnesota Email: : hillmyer@umn.edu ORCID: 0000-0001-8255-3853 Associate or Co-investigator Contact Information Name: Madalyn R. Radlauer Institution: Email: ORCID: 0000-0002-3226-5340 Associate or Co-investigator Contact Information Name: Akash Arora Institution: University of Minnesota Email: ORCID: Associate or Co-investigator Contact Information Name: Megan E. Matta Institution: University of Minnesota Email: ORCID: 0000-0002-9999-3107 Associate or Co-investigator Contact Information Name: Frank S. Bates Institution: University of Minnesota Email: bates001@umn.edu ORCID: 0000-0003-3977-1278 3. Date of data collection (single date, range, approximate date) 2017/09/01 -- 2018/03/01 4. Geographic location of data collection (where was data collected?): University of Minnesota, Minneapolis, MN 55455 5. Information about funding sources that supported the collection of the data: National Science Foundation (DMR-1333669 and DMR-1725272) -------------------------- SHARING/ACCESS INFORMATION -------------------------- 1. Licenses/restrictions placed on the data: Attribution-NonCommercial 3.0 United States 2. Links to publications that cite or use the data: Order and Disorder in ABCA' Tetrablock Terpolymers. The journal of physical chemistry. B 2020. https://doi.org/10.1021/acs.jpcb.0c07543. 3. Links to other publicly accessible locations of the data: 4. Links/relationships to ancillary data sets: 5. Was data derived from another source? If yes, list source(s): 6. Recommended citation for the data: Radlauer, Madalyn R; Arora, Akash; Matta, Megan E; Bates, Frank S; Hillmyer, Marc A; Dorfman, Kevin D. (2020). Data for Order and Disorder in ABCA′ Tetrablock Terpolymers. Retrieved from the Data Repository for the University of Minnesota, https://doi.org/10.13020/f0pj-0j55. --------------------- DATA & FILE OVERVIEW --------------------- 1. File List A. Filename: in Short description: input parameters for SCFT simulation B. Filename: in.omega Short description: Guess potential fields for SCFT simulation C. Filename: #.out Short description: Free energies and unit-cell parameters for converged SCFT solution D. Filename: #.rho Short description: Density profiles for converged SCFT solution E. Filename: #.omega Short description: Converged potential fields values G. Filename: M_star.p Short description: Gnuplot plotting file to plot critical Ms Vs. T H. Filename: T_f_star Short description: Values of critical Ms as function of T. This file is used in above gnuplot script (M_star.p) I. Filename: free_energy.p Short description: Gnuplot script to read SCFT simulations file in tetrablock folder and plot the free energies 2. Relationship between files: Files in and in.omega are used as input to the pscf application (SCFT simulation), and #.out, #.rho, and #.omega are output from the simulation. 3. Additional related data collected that was not included in the current data package: No -------------------------- METHODOLOGICAL INFORMATION -------------------------- 1. Description of methods used for collection/generation of data: The SCFT simulations are performed using open-source package called PSCF described in the following publication: https://pubs.acs.org/doi/abs/10.1021/acs.macromol.6b00107 2. Methods for processing the data: Plotting scripts for inputing the simulation data and generating figures are provided in the respective folders 3. Instrument- or software-specific information needed to interpret the data: PSCF (https://pscf.cems.umn.edu/pscf) 4. Standards and calibration information, if appropriate: Not applicable 5. Environmental/experimental conditions: Not applicable 6. Describe any quality-assurance procedures performed on the data: Not applicable 7. People involved with sample collection, processing, analysis and/or submission: Akash Arora, Madalyn R. Radlauer, and Kevin D. Dorfman ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: in, out ----------------------------------------- 1. Number of variables: 4 2. Number of cases/rows: depends on simulation 3. Variable List A. Name: Chi Description: Value of Flory-Huggins interaction parameter times N B. Name: block lengths Description: Volume fraction of all blocks C. Name: Kuhn lengths Description: Kuhn lengths of all blocks C. Name: sweep d_block_lengths Description: perform soft simulations by incrementing block_length by the amount d_block_lengths ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: in.omega, omega, rho ----------------------------------------- 1. Number of variables: No variable are needed to change in this file 2. Number of cases/rows: depends on simulation 3. Variable List No variables are required to enter in this file These are chemical potential fields (omega) and density files (rho) that are input and output from simulations ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: out ----------------------------------------- 1. Number of variables: No variable are needed to change in this file 2. Number of cases/rows: depends on simulation 3. Variable List This file is output from simulation containing free energies and domain spacing -------------------------- FILE STRUCTURE -------------------------- 4,464 Files, 308 Folders +---figures_with_scripts | | .DS_Store | | critical_PS.eps | | FE.eps | | free_energy.p | | M_star.p | | T_f_star.txt | | | \---tetrablock_desnity_profiles | | .DS_Store | | | +---poly_1 | | | .DS_Store | | | | | \---separate_S | | | .DS_Store | | | comp.png | | | composite.fig | | | composite.png | | | composite_diblock_form.fig | | | composite_diblock_form.png | | | composite_diblock_form_new.fig | | | composite_diblock_form_new.png | | | copy_column_2D.py | | | data.mat | | | density.png | | | density_110.fig | | | diblock_form | | | in | | | in.omega | | | in_field | | | new | | | omega_new | | | polymer_visual.m | | | rho_hex_diff_S.dat | | | terpolymer_visual.m | | | tetrablock_visual_Diff_S.m | | | | | +---low_res | | | | in | | | | in.omega | | | | in_field | | | | rho_hex_diff_S.dat | | | | tetrablock_visual_Diff_S.m | | | | | | | \---ref | | | omega | | | out | | | rho | | | rho_rgrid_conv | | | | | \---ref | | omega | | out | | rho | | rho_rgrid_conv | | | +---poly_2 | | | .DS_Store | | | | | \---separate_S | | | .DS_Store | | | comp.png | | | composite.fig | | | composite.png | | | composite_new.fig | | | composite_new.png | | | copy_column_2D.py | | | density_110.fig | | | in | | | in.omega | | | in_field | | | new | | | omega_new | | | polymer_visual.m | | | rho_hex_diff_S.dat | | | tetrablock_visual_Diff_S.m | | | | | +---low_res | | | | in | | | | in.omega | | | | in_field | | | | rho_hex_diff_S.dat | | | | tetrablock_visual_Diff_S.m | | | | | | | \---ref | | | omega | | | out | | | rho | | | rho_rgrid_conv | | | | | \---ref | | omega | | out | | rho | | rho_rgrid_conv | | | \---poly_3 | | .DS_Store | | | \---separate_S | | .DS_Store | | comp.png | | composite.fig | | composite.png | | copy_column_2D.py | | in | | in.omega | | in_field | | new | | polymer_visual_bkp.m | | | +---low_res | | | in | | | in.omega | | | in_field | | | rho_hex_diff_S.dat | | | tetrablock_visual_Diff_S.m | | | | | \---ref | | omega | | out | | rho | | rho_rgrid_conv | | | \---ref | omega | out | rho | rho_rgrid_conv | +---parent_triblock_SCFT_calc | | .DS_Store | | | +---poly_1 | | | .DS_Store | | | | | +---lam | | | | .DS_Store | | | | in | | | | in.omega | | | | | | | \---ref | | | omega | | | out | | | rho | | | | | \---P6mm | | | .DS_Store | | | comp.png | | | composite_diblock_form.fig | | | composite_diblock_form.png | | | data.mat | | | diblock_form | | | in | | | in.omega | | | in_field | | | polymer_visual.m | | | polymer_visual_PM.m | | | rho_hex_diff_S.dat | | | tetrablock_visual_write.m | | | | | +---low_res | | | | in | | | | in.omega | | | | in_field | | | | rho_hex_diff_S.dat | | | | tetrablock_visual_write.m | | | | | | | \---ref | | | omega | | | out | | | rho | | | rho_rgrid_conv | | | | | \---ref | | omega | | out | | rho | | rho_rgrid_conv | | | +---poly_2 | | | .DS_Store | | | | | +---lam | | | | in | | | | in.omega | | | | | | | \---ref | | | omega | | | out | | | rho | | | | | \---P6mm | | | .DS_Store | | | comp.png | | | composite.fig | | | composite.png | | | in | | | in.omega | | | in_field | | | rho_hex_diff_S.dat | | | tetrablock_visual_write.m | | | | | +---low_res | | | | in | | | | in.omega | | | | in_field | | | | rho_hex_diff_S.dat | | | | tetrablock_visual_write.m | | | | | | | \---ref | | | omega | | | out | | | rho | | | rho_rgrid_conv | | | | | \---ref | | omega | | out | | rho | | rho_rgrid_conv | | | \---poly_3 | | .DS_Store | | | +---lam | | | in | | | in.omega | | | | | \---ref | | omega | | out | | rho | | | \---P6mm | | .DS_Store | | comp.png | | composite.fig | | composite.png | | in | | in.omega | | in_field | | polymer_visual_bkp.m | | rho_hex_diff_S.dat | | tetrablock_visual_write.m | | | +---low_res | | | in | | | in.omega | | | in_field | | | rho_hex_diff_S.dat | | | tetrablock_visual_write.m | | | | | \---ref | | omega | | out | | rho | | rho_rgrid_conv | | | \---ref | omega | out | rho | rho_rgrid_conv | \---tetrablock_SCFT_calc | .DS_Store | +---poly_1 | | .DS_Store | | | +---exp_poly | | | .DS_Store | | | extract.sh | | | hex | | | hex_old | | | lam | | | lam_old | | | | | +---T_120 | | | +---lam | | | | | in | | | | | in.omega | | | | | | | | | +---ref | | | | | omega | | | | | out | | | | | rho | | | | | | | | | \---ref_1 | | | | omega | | | | out | | | | rho | | | | | | | \---P6mm | | | | in | | | | in.omega | | | | | | | \---ref | | | omega | | | out | | | rho | | | | | +---T_130 | | | +---lam | | | | | in | | | | | in.omega | | | | | | | | | +---ref | | | | | omega | | | | | out | | | | | rho | | | | | | | | | \---ref_1 | | | | omega | | | | out | | | | rho | | | | | | | \---P6mm | | | | in | | | | in.omega | | | | | | | \---ref | | | omega | | | out | | | rho | | | | | +---T_140 | | | +---lam | | | | | in | | | | | in.omega | | | | | | | | | +---ref | | | | | omega | | | | | out | | | | | rho | | | | | | | | | +---ref_1 | | | | | omega | | | | | out | | | | | rho | | | | | | | | | \---separate_S | | | | | copy_column_1D.py | | | | | in | | | | | in.omega | | | | | in_field | | | | | new | | | | | | | | | \---ref | | | | omega | | | | out | | | | rho | | | | rho_rgrid_conv | | | | | | | \---P6mm | | | | in | | | | in.omega | | | | | | | +---ref | | | | omega | | | | out | | | | rho | | | | | | | \---separate_S | | | | copy_column_2D.py | | | | in | | | | in.omega | | | | in_field | | | | new | | | | | | | \---ref | | | omega | | | out | | | rho | | | rho_rgrid_conv | | | | | +---T_150 | | | | .DS_Store | | | | | | | +---lam | | | | | in | | | | | in.omega | | | | | | | | | +---ref | | | | | omega | | | | | out | | | | | rho | | | | | | | | | +---ref_1 | | | | | omega | | | | | out | | | | | rho | | | | | | | | | +---ref_2 | | | | | omega | | | | | out | | | | | rho | | | | | | | | | \---separate_S | | | | | copy_column_1D.py | | | | | in | | | | | in.omega | | | | | in_field | | | | | new | | | | | | | | | \---ref | | | | omega | | | | out | | | | rho | | | | rho_rgrid_conv | | | | | | | \---P6mm | | | | .DS_Store | | | | in | | | | in.omega | | | | | | | +---ref | | | | omega | | | | out | | | | rho | | | | | | | +---ref_1 | | | | omega | | | | out | | | | rho | | | | | | | +---ref_2 | | | | omega | | | | out | | | | rho | | | | | | | +---ref_3 | | | | omega | | | | out | | | | rho | | | | | | | \---separate_S | | | | .DS_Store | | | | copy_column_2D.py | | | | in | | | | in.omega | | | | in_field | | | | new | | | | omega_new | | | | | | | \---ref | | | omega | | | out | | | rho | | | rho_rgrid_conv | | | | | +---T_150_density_profiles | | | | .DS_Store | | | | | | | +---lam | | | | | in | | | | | in.omega | | | | | | | | | \---ref | | | | omega | | | | out | | | | rho | | | | | | | \---P6mm | | | | .DS_Store | | | | in | | | | in.omega | | | | in_field | | | | | | | +---ref | | | | omega | | | | out | | | | rho | | | | rho_rgrid_conv | | | | | | | \---separate_S | | | | .DS_Store | | | | comp.png | | | | composite.fig | | | | composite.png | | | | composite_diblock_form.fig | | | | composite_diblock_form.png | | | | composite_diblock_form_new.fig | | | | composite_diblock_form_new.png | | | | copy_column_2D.py | | | | data.mat | | | | density.png | | | | density_110.fig | | | | diblock_form | | | | in | | | | in.omega | | | | in_field | | | | new | | | | omega_new | | | | polymer_visual.m | | | | rho_hex_diff_S.dat | | | | terpolymer_visual.m | | | | tetrablock_visual_Diff_S.m | | | | | | | +---low_res | | | | | in | | | | | in.omega | | | | | in_field | | | | | rho_hex_diff_S.dat | | | | | tetrablock_visual_Diff_S.m | | | | | | | | | \---ref | | | | omega | | | | out | | | | rho | | | | rho_rgrid_conv | | | | | | | \---ref | | | omega | | | out | | | rho | | | rho_rgrid_conv | | | | | +---T_160 | | | +---lam | | | | | in | | | | | in.omega | | | | | | | | | +---ref | | | | | omega | | | | | out | | | | | rho | | | | | | | | | +---ref_1 | | | | | omega | | | | | out | | | | | rho | | | | | | | | | +---ref_2 | | | | | omega | | | | | out | | | | | rho | | | | | | | | | +---ref_3 | | | | | omega | | | | | out | | | | | rho | | | | | | | | | \---separate_S | | | | | copy_column_1D.py | | | | | in | | | | | in.omega | | | | | in_field | | | | | new | | | | | omega_new | | | | | | | | | \---ref | | | | omega | | | | out | | | | rho | | | | rho_rgrid_conv | | | | | | | \---P6mm | | | | in | | | | in.omega | | | | | | | +---ref | | | | omega | | | | out | | | | rho | | | | | | | +---ref_1 | | | | omega | | | | out | | | | rho | | | | | | | \---separate_S | | | | copy_column_2D.py | | | | in | | | | in.omega | | | | in_field | | | | new | | | | omega_new | | | | | | | \---ref | | | omega | | | out | | | rho | | | rho_rgrid_conv | | | | | \---T_170 | | +---lam | | | | in | | | | in.omega | | | | | | | +---ref | | | | omega | | | | out | | | | rho | | | | | | | \---ref_1 | | | omega | | | out | | | rho | | | | | \---P6mm | | | in | | | in.omega | | | | | +---ref | | | omega | | | out | | | rho | | | | | \---ref_1 | | omega | | out | | rho | | | +---T_120 | | | .DS_Store | | | | | +---lam | | | | .DS_Store | | | | compare.py | | | | dis | | | | dis_prev | | | | in | | | | in.omega | | | | lam | | | | lam_prev | | | | pscf | | | | | | | +---f_010 | | | | | in | | | | | in.omega | | | | | pscf | | | | | | | | | \---ref | | | | 0.omega | | | | 0.out | | | | 0.rho | | | | 1.omega | | | | 1.out | | | | 1.rho | | | | 2.omega | | | | 2.out | | | | 2.rho | | | | 3.omega | | | | 3.out | | | | 3.rho | | | | 4.omega | | | | 4.out | | | | 4.rho | | | | 5.omega | | | | 5.out | | | | 5.rho | | | | 6.omega | | | | 6.out | | | | 6.rho | | | | 7.omega | | | | 7.out | | | | 7.rho | | | | 8.omega | | | | 8.out | | | | 8.rho | | | | | | | +---f_gt_07 | | | | | compare.py | | | | | dis | | | | | in | | | | | in.omega | | | | | lam | | | | | pscf | | | | | | | | | \---ref | | | | 0.omega | | | | 0.out | | | | 0.rho | | | | 1.omega | | | | 1.out | | | | 1.rho | | | | | | | +---f_gt_09 | | | | | compare.py | | | | | dis | | | | | in | | | | | in.omega | | | | | lam | | | | | pscf | | | | | | | | | \---ref | | | | 0.omega | | | | 0.out | | | | 0.rho | | | | 1.omega | | | | 1.out | | | | 1.rho | | | | 10.omega | | | | 10.out | | | | 10.rho | | | | 11.omega | | | | 11.out | | | | 11.rho | | | | 12.omega | | | | 12.out | | | | 12.rho | | | | 13.omega | | | | 13.out | | | | 13.rho | | | | 14.omega | | | | 14.out | | | | 14.rho | | | | 15.omega | | | | 15.out | | | | 15.rho | | | | 16.omega | | | | 16.out | | | | 16.rho | | | | 17.omega | | | | 17.out | | | | 17.rho | | | | 18.omega | | | | 18.out | | | | 18.rho | | | | 19.omega | | | | 19.out | | | | 19.rho | | | | 2.omega | | | | 2.out | | | | 2.rho | | | | 20.omega | | | | 20.out | | | | 20.rho | | | | 21.omega | | | | 21.out | | | | 21.rho | | | | 22.omega | | | | 22.out | | | | 22.rho | | | | 23.omega | | | | 23.out | | | | 23.rho | | | | 24.omega | | | | 24.out | | | | 24.rho | | | | 25.omega | | | | 25.out | | | | 25.rho | | | | 26.omega | | | | 26.out | | | | 26.rho | | | | 27.omega | | | | 27.out | | | | 27.rho | | | | 28.omega | | | | 28.out | | | | 28.rho | | | | 29.omega | | | | 29.out | | | | 29.rho | | | | 3.omega | | | | 3.out | | | | 3.rho | | | | 30.omega | | | | 30.out | | | | 30.rho | | | | 31.omega | | | | 31.out | | | | 31.rho | | | | 32.omega | | | | 32.out | | | | 32.rho | | | | 33.omega | | | | 33.out | | | | 33.rho | | | | 4.omega | | | | 4.out | | | | 4.rho | | | | 5.omega | | | | 5.out | | | | 5.rho | | | | 6.omega | | | | 6.out | | | | 6.rho | | | | 7.omega | | | | 7.out | | | | 7.rho | | | | 8.omega | | | | 8.out | | | | 8.rho | | | | 9.omega | | | | 9.out | | | | 9.rho | | | | | | | +---f_gt_32 | | | | | compare.py | | | | | dis | | | | | in | | | | | in.omega | | | | | lam | | | | | pscf | | | | | | | | | \---ref | | | | 0.omega | | | | 0.out | | | | 0.rho | | | | 1.omega | | | | 1.out | | | | 1.rho | | | | 10.omega | | | | 10.out | | | | 10.rho | | | | 11.omega | | | | 11.out | | | | 11.rho | | | | 12.omega | | | | 12.out | | | | 12.rho | | | | 13.omega | | | | 13.out | | | | 13.rho | | | | 14.omega | | | | 14.out | | | | 14.rho | | | | 15.omega | | | | 15.out | | | | 15.rho | | | | 16.omega | | | | 16.out | | | | 16.rho | | | | 17.omega | | | | 17.out | | | | 17.rho | | | | 18.omega | | | | 18.out | | | | 18.rho | | | | 19.omega | | | | 19.out | | | | 19.rho | | | | 2.omega | | | | 2.out | | | | 2.rho | | | | 20.omega | | | | 20.out | | | | 20.rho | | | | 21.omega | | | | 21.out | | | | 21.rho | | | | 22.omega | | | | 22.out | | | | 22.rho | | | | 23.omega | | | | 23.out | | | | 23.rho | | | | 24.omega | | | | 24.out | | | | 24.rho | | | | 25.omega | | | | 25.out | | | | 25.rho | | | | 26.omega | | | | 26.out | | | | 26.rho | | | | 27.omega | | | | 27.out | | | | 27.rho | | | | 28.omega | | | | 28.out | | | | 28.rho | | | | 29.omega | | | | 29.out | | | | 29.rho | | | | 3.omega | | | | 3.out | | | | 3.rho | | | | 30.omega | | | | 30.out | | | | 30.rho | | | | 31.omega | | | | 31.out | | | | 31.rho | | | | 32.omega | | | | 32.out | | | | 32.rho | | | | 33.omega | | | | 33.out | | | | 33.rho | | | | 34.omega | | | | 34.out | | | | 34.rho | | | | 35.omega | | | | 35.out | | | | 35.rho | | | | 36.omega | | | | 36.out | | | | 36.rho | | | | 37.omega | | | | 37.out | | | | 37.rho | | | | 38.omega | | | | 38.out | | | | 38.rho | | | | 39.omega | | | | 39.out | | | | 39.rho | | | | 4.omega | | | | 4.out | | | | 4.rho | | | | 40.omega | | | | 40.out | | | | 40.rho | | | | 5.omega | | | | 5.out | | | | 5.rho | | | | 6.omega | | | | 6.out | | | | 6.rho | | | | 7.omega | | | | 7.out | | | | 7.rho | | | | 8.omega | | | | 8.out | | | | 8.rho | | | | 9.omega | | | | 9.out | | | | 9.rho | | | | | | | +---ref | | | | 0.omega | | | | 0.out | | | | 0.rho | | | | 1.omega | | | | 1.out | | | | 1.rho | | | | 10.omega | | | | 10.out | | | | 10.rho | | | | 11.omega | | | | 11.out | | | | 11.rho | | | | 12.omega | | | | 12.out | | | | 12.rho | | | | 13.omega | | | | 13.out | | | | 13.rho | | | | 14.omega | | | | 14.out | | | | 14.rho | | | | 15.omega | | | | 15.out | | | | 15.rho | | | | 16.omega | | | | 16.out | | | | 16.rho | | | | 17.omega | | | | 17.out | | | | 17.rho | | | | 18.omega | | | | 18.out | | | | 18.rho | | | | 19.omega | | | | 19.out | | | | 19.rho | | | | 2.omega | | | | 2.out | | | | 2.rho | | | | 20.omega | | | | 20.out | | | | 20.rho | | | | 21.omega | | | | 21.out | | | | 21.rho | | | | 22.omega | | | | 22.out | | | | 22.rho | | | | 23.omega | | | | 23.out | | | | 23.rho | | | | 24.omega | | | | 24.out | | | | 24.rho | | | | 25.omega | | | | 25.out | | | | 25.rho | | | | 26.omega | | | | 26.out | | | | 26.rho | | | | 27.omega | | | | 27.out | | | | 27.rho | | | | 28.omega | | | | 28.out | | | | 28.rho | | | | 29.omega | | | | 29.out | | | | 29.rho | | | | 3.omega | | | | 3.out | | | | 3.rho | | | | 30.omega | | | | 30.out | | | | 30.rho | | | | 31.omega | | | | 31.out | | | | 31.rho | | | | 32.omega | | | | 32.out | | | | 32.rho | | | | 33.omega | | | | 33.out | | | | 33.rho | | | | 34.omega | | | | 34.out | | | | 34.rho | | | | 35.omega | | | | 35.out | | | | 35.rho | | | | 36.omega | | | | 36.out | | | | 36.rho | | | | 37.omega | | | | 37.out | | | | 37.rho | | | | 38.omega | | | | 38.out | | | | 38.rho | | | | 39.omega | | | | 39.out | | | | 39.rho | | | | 4.omega | | | | 4.out | | | | 4.rho | | | | 40.omega | | | | 40.out | | | | 40.rho | | | | 5.omega | | | | 5.out | | | | 5.rho | | | | 6.omega | | | | 6.out | | | | 6.rho | | | | 7.omega | | | | 7.out | | | | 7.rho | | | | 8.omega | | | | 8.out | | | | 8.rho | | | | 9.omega | | | | 9.out | | | | 9.rho | | | | | | | +---ref_prev | | | | 0.omega | | | | 0.out | | | | 0.rho | | | | 1.omega | | | | 1.out | | | | 1.rho | | | | 2.omega | | | | 2.out | | | | 2.rho | | | | 3.omega | | | | 3.out | | | | 3.rho | | | | 4.omega | | | | 4.out | | | | 4.rho | | | | 5.omega | | | | 5.out | | | | 5.rho | | | | 6.omega | | | | 6.out | | | | 6.rho | | | | 7.omega | | | | 7.out | | | | 7.rho | | | | 8.omega | | | | 8.out | | | | 8.rho | | | | | | | +---unit_cell_f_010 | | | | | compare.py | | | | | dis | | | | | dis_prev | | | | | in | | | | | in.omega | | | | | lam | | | | | lam_prev | | | | | | | | | +---236_234 | | | | | | compare.py | | | | | | dis | | | | | | in | | | | | | in.omega | | | | | | lam | | | | | | | | | | | \---ref | | | | | 0.omega | | | | | 0.out | | | | | 0.rho | | | | | 1.omega | | | | | 1.out | | | | | 1.rho | | | | | 10.omega | | | | | 10.out | | | | | 10.rho | | | | | 11.omega | | | | | 11.out | | | | | 11.rho | | | | | 12.omega | | | | | 12.out | | | | | 12.rho | | | | | 13.omega | | | | | 13.out | | | | | 13.rho | | | | | 14.omega | | | | | 14.out | | | | | 14.rho | | | | | 15.omega | | | | | 15.out | | | | | 15.rho | | | | | 16.omega | | | | | 16.out | | | | | 16.rho | | | | | 17.omega | | | | | 17.out | | | | | 17.rho | | | | | 18.omega | | | | | 18.out | | | | | 18.rho | | | | | 19.omega | | | | | 19.out | | | | | 19.rho | | | | | 2.omega | | | | | 2.out | | | | | 2.rho | | | | | 20.omega | | | | | 20.out | | | | | 20.rho | | | | | 3.omega | | | | | 3.out | | | | | 3.rho | | | | | 4.omega | | | | | 4.out | | | | | 4.rho | | | | | 5.omega | | | | | 5.out | | | | | 5.rho | | | | | 6.omega | | | | | 6.out | | | | | 6.rho | | | | | 7.omega | | | | | 7.out | | | | | 7.rho | | | | | 8.omega | | | | | 8.out | | | | | 8.rho | | | | | 9.omega | | | | | 9.out | | | | | 9.rho | | | | | | | | | +---ref | | | | | 0.omega | | | | | 0.out | | | | | 0.rho | | | | | 1.omega | | | | | 1.out | | | | | 1.rho | | | | | 10.omega | | | | | 10.out | | | | | 10.rho | | | | | 11.omega | | | | | 11.out | | | | | 11.rho | | | | | 12.omega | | | | | 12.out | | | | | 12.rho | | | | | 13.omega | | | | | 13.out | | | | | 13.rho | | | | | 14.omega | | | | | 14.out | | | | | 14.rho | | | | | 15.omega | | | | | 15.out | | | | | 15.rho | | | | | 16.omega | | | | | 16.out | | | | | 16.rho | | | | | 17.omega | | | | | 17.out | | | | | 17.rho | | | | | 18.omega | | | | | 18.out | | | | | 18.rho | | | | | 19.omega | | | | | 19.out | | | | | 19.rho | | | | | 2.omega | | | | | 2.out | | | | | 2.rho | | | | | 20.omega | | | | | 20.out | | | | | 20.rho | | | | | 21.omega | | | | | 21.out | | | | | 21.rho | | | | | 22.omega | | | | | 22.out | | | | | 22.rho | | | | | 23.omega | | | | | 23.out | | | | | 23.rho | | | | | 24.omega | | | | | 24.out | | | | | 24.rho | | | | | 25.omega | | | | | 25.out | | | | | 25.rho | | | | | 26.omega | | | | | 26.out | | | | | 26.rho | | | | | 27.omega | | | | | 27.out | | | | | 27.rho | | | | | 28.omega | | | | | 28.out | | | | | 28.rho | | | | | 29.omega | | | | | 29.out | | | | | 29.rho | | | | | 3.omega | | | | | 3.out | | | | | 3.rho | | | | | 30.omega | | | | | 30.out | | | | | 30.rho | | | | | 31.omega | | | | | 31.out | | | | | 31.rho | | | | | 32.omega | | | | | 32.out | | | | | 32.rho | | | | | 33.omega | | | | | 33.out | | | | | 33.rho | | | | | 34.omega | | | | | 34.out | | | | | 34.rho | | | | | 35.omega | | | | | 35.out | | | | | 35.rho | | | | | 36.omega | | | | | 36.out | | | | | 36.rho | | | | | 37.omega | | | | | 37.out | | | | | 37.rho | | | | | 38.omega | | | | | 38.out | | | | | 38.rho | | | | | 39.omega | | | | | 39.out | | | | | 39.rho | | | | | 4.omega | | | | | 4.out | | | | | 4.rho | | | | | 40.omega | | | | | 40.out | | | | | 40.rho | | | | | 41.omega | | | | | 41.out | | | | | 41.rho | | | | | 42.omega | | | | | 42.out | | | | | 42.rho | | | | | 43.omega | | | | | 43.out | | | | | 43.rho | | | | | 44.omega | | | | | 44.out | | | | | 44.rho | | | | | 45.omega | | | | | 45.out | | | | | 45.rho | | | | | 46.omega | | | | | 46.out | | | | | 46.rho | | | | | 47.omega | | | | | 47.out | | | | | 47.rho | | | | | 48.omega | | | | | 48.out | | | | | 48.rho | | | | | 49.omega | | | | | 49.out | | | | | 49.rho | | | | | 5.omega | | | | | 5.out | | | | | 5.rho | | | | | 50.omega | | | | | 50.out | | | | | 50.rho | | | | | 51.omega | | | | | 51.out | | | | | 51.rho | | | | | 52.omega | | | | | 52.out | | | | | 52.rho | | | | | 53.omega | | | | | 53.out | | | | | 53.rho | | | | | 54.omega | | | | | 54.out | | | | | 54.rho | | | | | 55.omega | | | | | 55.out | | | | | 55.rho | | | | | 56.omega | | | | | 56.out | | | | | 56.rho | | | | | 57.omega | | | | | 57.out | | | | | 57.rho | | | | | 58.omega | | | | | 58.out | | | | | 58.rho | | | | | 59.omega | | | | | 59.out | | | | | 59.rho | | | | | 6.omega | | | | | 6.out | | | | | 6.rho | | | | | 60.omega | | | | | 60.out | | | | | 60.rho | | | | | 61.omega | | | | | 61.out | | | | | 61.rho | | | | | 62.omega | | | | | 62.out | | | | | 62.rho | | | | | 63.omega | | | | | 63.out | | | | | 63.rho | | | | | 64.omega | | | | | 64.out | | | | | 64.rho | | | | | 65.omega | | | | | 65.out | | | | | 65.rho | | | | | 66.omega | | | | | 66.out | | | | | 66.rho | | | | | 67.omega | | | | | 67.out | | | | | 67.rho | | | | | 68.omega | | | | | 68.out | | | | | 68.rho | | | | | 69.omega | | | | | 69.out | | | | | 69.rho | | | | | 7.omega | | | | | 7.out | | | | | 7.rho | | | | | 70.omega | | | | | 70.out | | | | | 70.rho | | | | | 8.omega | | | | | 8.out | | | | | 8.rho | | | | | 9.omega | | | | | 9.out | | | | | 9.rho | | | | | | | | | \---ref_prev | | | | 0.omega | | | | 0.out | | | | 0.rho | | | | 1.omega | | | | 1.out | | | | 1.rho | | | | 10.omega | | | | 10.out | | | | 10.rho | | | | 100.omega | | | | 100.out | | | | 100.rho | | | | 101.omega | | | | 101.out | | | | 101.rho | | | | 102.omega | | | | 102.out | | | | 102.rho | | | | 11.omega | | | | 11.out | | | | 11.rho | | | | 12.omega | | | | 12.out | | | | 12.rho | | | | 13.omega | | | | 13.out | | | | 13.rho | | | | 14.omega | | | | 14.out | | | | 14.rho | | | | 15.omega | | | | 15.out | | | | 15.rho | | | | 16.omega | | | | 16.out | | | | 16.rho | | | | 17.omega | | | | 17.out | | | | 17.rho | | | | 18.omega | | | | 18.out | | | | 18.rho | | | | 19.omega | | | | 19.out | | | | 19.rho | | | | 2.omega | | | | 2.out | | | | 2.rho | | | | 20.omega | | | | 20.out | | | | 20.rho | | | | 21.omega | | | | 21.out | | | | 21.rho | | | | 22.omega | | | | 22.out | | | | 22.rho | | | | 23.omega | | | | 23.out | | | | 23.rho | | | | 24.omega | | | | 24.out | | | | 24.rho | | | | 25.omega | | | | 25.out | | | | 25.rho | | | | 26.omega | | | | 26.out | | | | 26.rho | | | | 27.omega | | | | 27.out | | | | 27.rho | | | | 28.omega | | | | 28.out | | | | 28.rho | | | | 29.omega | | | | 29.out | | | | 29.rho | | | | 3.omega | | | | 3.out | | | | 3.rho | | | | 30.omega | | | | 30.out | | | | 30.rho | | | | 31.omega | | | | 31.out | | | | 31.rho | | | | 32.omega | | | | 32.out | | | | 32.rho | | | | 33.omega | | | | 33.out | | | | 33.rho | | | | 34.omega | | | | 34.out | | | | 34.rho | | | | 35.omega | | | | 35.out | | | | 35.rho | | | | 36.omega | | | | 36.out | | | | 36.rho | | | | 37.omega | | | | 37.out | | | | 37.rho | | | | 38.omega | | | | 38.out | | | | 38.rho | | | | 39.omega | | | | 39.out | | | | 39.rho | | | | 4.omega | | | | 4.out | | | | 4.rho | | | | 40.omega | | | | 40.out | | | | 40.rho | | | | 41.omega | | | | 41.out | | | | 41.rho | | | | 42.omega | | | | 42.out | | | | 42.rho | | | | 43.omega | | | | 43.out | | | | 43.rho | | | | 44.omega | | | | 44.out | | | | 44.rho | | | | 45.omega | | | | 45.out | | | | 45.rho | | | | 46.omega | | | | 46.out | | | | 46.rho | | | | 47.omega | | | | 47.out | | | | 47.rho | | | | 48.omega | | | | 48.out | | | | 48.rho | | | | 49.omega | | | | 49.out | | | | 49.rho | | | | 5.omega | | | | 5.out | | | | 5.rho | | | | 50.omega | | | | 50.out | | | | 50.rho | | | | 51.omega | | | | 51.out | | | | 51.rho | | | | 52.omega | | | | 52.out | | | | 52.rho | | | | 53.omega | | | | 53.out | | | | 53.rho | | | | 54.omega | | | | 54.out | | | | 54.rho | | | | 55.omega | | | | 55.out | | | | 55.rho | | | | 56.omega | | | | 56.out | | | | 56.rho | | | | 57.omega | | | | 57.out | | | | 57.rho | | | | 58.omega | | | | 58.out | | | | 58.rho | | | | 59.omega | | | | 59.out | | | | 59.rho | | | | 6.omega | | | | 6.out | | | | 6.rho | | | | 60.omega | | | | 60.out | | | | 60.rho | | | | 61.omega | | | | 61.out | | | | 61.rho | | | | 62.omega | | | | 62.out | | | | 62.rho | | | | 63.omega | | | | 63.out | | | | 63.rho | | | | 64.omega | | | | 64.out | | | | 64.rho | | | | 65.omega | | | | 65.out | | | | 65.rho | | | | 66.omega | | | | 66.out | | | | 66.rho | | | | 67.omega | | | | 67.out | | | | 67.rho | | | | 68.omega | | | | 68.out | | | | 68.rho | | | | 69.omega | | | | 69.out | | | | 69.rho | | | | 7.omega | | | | 7.out | | | | 7.rho | | | | 70.omega | | | | 70.out | | | | 70.rho | | | | 71.omega | | | | 71.out | | | | 71.rho | | | | 72.omega | | | | 72.out | | | | 72.rho | | | | 73.omega | | | | 73.out | | | | 73.rho | | | | 74.omega | | | | 74.out | | | | 74.rho | | | | 75.omega | | | | 75.out | | | | 75.rho | | | | 76.omega | | | | 76.out | | | | 76.rho | | | | 77.omega | | | | 77.out | | | | 77.rho | | | | 78.omega | | | | 78.out | | | | 78.rho | | | | 79.omega | | | | 79.out | | | | 79.rho | | | | 8.omega | | | | 8.out | | | | 8.rho | | | | 80.omega | | | | 80.out | | | | 80.rho | | | | 81.omega | | | | 81.out | | | | 81.rho | | | | 82.omega | | | | 82.out | | | | 82.rho | | | | 83.omega | | | | 83.out | | | | 83.rho | | | | 84.omega | | | | 84.out | | | | 84.rho | | | | 85.omega | | | | 85.out | | | | 85.rho | | | | 86.omega | | | | 86.out | | | | 86.rho | | | | 87.omega | | | | 87.out | | | | 87.rho | | | | 88.omega | | | | 88.out | | | | 88.rho | | | | 89.omega | | | | 89.out | | | | 89.rho | | | | 9.omega | | | | 9.out | | | | 9.rho | | | | 90.omega | | | | 90.out | | | | 90.rho | | | | 91.omega | | | | 91.out | | | | 91.rho | | | | 92.omega | | | | 92.out | | | | 92.rho | | | | 93.omega | | | | 93.out | | | | 93.rho | | | | 94.omega | | | | 94.out | | | | 94.rho | | | | 95.omega | | | | 95.out | | | | 95.rho | | | | 96.omega | | | | 96.out | | | | 96.rho | | | | 97.omega | | | | 97.out | | | | 97.rho | | | | 98.omega | | | | 98.out | | | | 98.rho | | | | 99.omega | | | | 99.out | | | | 99.rho | | | | | | | \---unit_cell_f_09 | | | | compare.py | | | | dis | | | | in | | | | in.omega | | | | lam | | | | | | | \---ref | | | 0.omega | | | 0.out | | | 0.rho | | | 1.omega | | | 1.out | | | 1.rho | | | 10.omega | | | 10.out | | | 10.rho | | | 11.omega | | | 11.out | | | 11.rho | | | 12.omega | | | 12.out | | | 12.rho | | | 13.omega | | | 13.out | | | 13.rho | | | 14.omega | | | 14.out | | | 14.rho | | | 15.omega | | | 15.out | | | 15.rho | | | 16.omega | | | 16.out | | | 16.rho | | | 17.omega | | | 17.out | | | 17.rho | | | 18.omega | | | 18.out | | | 18.rho | | | 19.omega | | | 19.out | | | 19.rho | | | 2.omega | | | 2.out | | | 2.rho | | | 20.omega | | | 20.out | | | 20.rho | | | 21.omega | | | 21.out | | | 21.rho | | | 22.omega | | | 22.out | | | 22.rho | | | 23.omega | | | 23.out | | | 23.rho | | | 24.omega | | | 24.out | | | 24.rho | | | 25.omega | | | 25.out | | | 25.rho | | | 26.omega | | | 26.out | | | 26.rho | | | 27.omega | | | 27.out | | | 27.rho | | | 28.omega | | | 28.out | | | 28.rho | | | 29.omega | | | 29.out | | | 29.rho | | | 3.omega | | | 3.out | | | 3.rho | | | 30.omega | | | 30.out | | | 30.rho | | | 31.omega | | | 31.out | | | 31.rho | | | 32.omega | | | 32.out | | | 32.rho | | | 33.omega | | | 33.out | | | 33.rho | | | 34.omega | | | 34.out | | | 34.rho | | | 35.omega | | | 35.out | | | 35.rho | | | 36.omega | | | 36.out | | | 36.rho | | | 37.omega | | | 37.out | | | 37.rho | | | 38.omega | | | 38.out | | | 38.rho | | | 39.omega | | | 39.out | | | 39.rho | | | 4.omega | | | 4.out | | | 4.rho | | | 40.omega | | | 40.out | | | 40.rho | | | 41.omega | | | 41.out | | | 41.rho | | | 42.omega | | | 42.out | | | 42.rho | | | 43.omega | | | 43.out | | | 43.rho | | | 44.omega | | | 44.out | | | 44.rho | | | 45.omega | | | 45.out | | | 45.rho | | | 46.omega | | | 46.out | | | 46.rho | | | 47.omega | | | 47.out | | | 47.rho | | | 48.omega | | | 48.out | | | 48.rho | | | 49.omega | | | 49.out | | | 49.rho | | | 5.omega | | | 5.out | | | 5.rho | | | 50.omega | | | 50.out | | | 50.rho | | | 51.omega | | | 51.out | | | 51.rho | | | 52.omega | | | 52.out | | | 52.rho | | | 53.omega | | | 53.out | | | 53.rho | | | 54.omega | | | 54.out | | | 54.rho | | | 55.omega | | | 55.out | | | 55.rho | | | 56.omega | | | 56.out | | | 56.rho | | | 57.omega | | | 57.out | | | 57.rho | | | 58.omega | | | 58.out | | | 58.rho | | | 59.omega | | | 59.out | | | 59.rho | | | 6.omega | | | 6.out | | | 6.rho | | | 60.omega | | | 60.out | | | 60.rho | | | 7.omega | | | 7.out | | | 7.rho | | | 8.omega | | | 8.out | | | 8.rho | | | 9.omega | | | 9.out | | | 9.rho | | | | | \---P6mm | | | compare.py | | | dis | | | hex | | | in | | | in.omega | | | pscf | | | | | +---ref | | | 0.omega | | | 0.out | | | 0.rho | | | 1.omega | | | 1.out | | | 1.rho | | | 10.omega | | | 10.out | | | 10.rho | | | 11.omega | | | 11.out | | | 11.rho | | | 12.omega | | | 12.out | | | 12.rho | | | 13.omega | | | 13.out | | | 13.rho | | | 14.omega | | | 14.out | | | 14.rho | | | 15.omega | | | 15.out | | | 15.rho | | | 16.omega | | | 16.out | | | 16.rho | | | 17.omega | | | 17.out | | | 17.rho | | | 18.omega | | | 18.out | | | 18.rho | | | 19.omega | | | 19.out | | | 19.rho | | | 2.omega | | | 2.out | | | 2.rho | | | 20.omega | | | 20.out | | | 20.rho | | | 21.omega | | | 21.out | | | 21.rho | | | 22.omega | | | 22.out | | | 22.rho | | | 23.omega | | | 23.out | | | 23.rho | | | 24.omega | | | 24.out | | | 24.rho | | | 25.omega | | | 25.out | | | 25.rho | | | 26.omega | | | 26.out | | | 26.rho | | | 27.omega | | | 27.out | | | 27.rho | | | 28.omega | | | 28.out | | | 28.rho | | | 29.omega | | | 29.out | | | 29.rho | | | 3.omega | | | 3.out | | | 3.rho | | | 30.omega | | | 30.out | | | 30.rho | | | 31.omega | | | 31.out | | | 31.rho | | | 32.omega | | | 32.out | | | 32.rho | | | 33.omega | | | 33.out | | | 33.rho | | | 34.omega | | | 34.out | | | 34.rho | | | 4.omega | | | 4.out | | | 4.rho | | | 5.omega | | | 5.out | | | 5.rho | | | 6.omega | | | 6.out | | | 6.rho | | | 7.omega | | | 7.out | | | 7.rho | | | 8.omega | | | 8.out | | | 8.rho | | | 9.omega | | | 9.out | | | 9.rho | | | | | \---ref_prev | | 0.omega | | 0.out | | 0.rho | | 1.omega | | 1.out | | 1.rho | | 10.omega | | 10.out | | 10.rho | | 11.omega | | 11.out | | 11.rho | | 12.omega | | 12.out | | 12.rho | | 13.omega | | 13.out | | 13.rho | | 14.omega | | 14.out | | 14.rho | | 15.omega | | 15.out | | 15.rho | | 16.omega | | 16.out | | 16.rho | | 17.omega | | 17.out | | 17.rho | | 18.omega | | 18.out | | 18.rho | | 19.omega | | 19.out | | 19.rho | | 2.omega | | 2.out | | 2.rho | | 20.omega | | 20.out | | 20.rho | | 21.omega | | 21.out | | 21.rho | | 22.omega | | 22.out | | 22.rho | | 23.omega | | 23.out | | 23.rho | | 24.omega | | 24.out | | 24.rho | | 25.omega | | 25.out | | 25.rho | | 26.omega | | 26.out | | 26.rho | | 27.omega | | 27.out | | 27.rho | | 28.omega | | 28.out | | 28.rho | | 29.omega | | 29.out | | 29.rho | | 3.omega | | 3.out | | 3.rho | | 30.omega | | 30.out | | 30.rho | | 4.omega | | 4.out | | 4.rho | | 5.omega | | 5.out | | 5.rho | | 6.omega | | 6.out | | 6.rho | | 7.omega | | 7.out | | 7.rho | | 8.omega | | 8.out | | 8.rho | | 9.omega | | 9.out | | 9.rho | | | +---T_130 | | +---lam | | | | compare.py | | | | dis | | | | dis_prev | | | | in | | | | in.omega | | | | lam | | | | lam_prev | | | | pscf | | | | | | | +---f_08 | | | | | in | | | | | in.omega | | | | | | | | | \---ref | | | | omega | | | | out | | | | rho | | | | | | | +---f_rev_37 | | | | | in | | | | | in.omega | | | | | pscf | | | | | | | | | \---ref | | | +---ref | | | | 0.omega | | | | 0.out | | | | 0.rho | | | | 1.omega | | | | 1.out | | | | 1.rho | | | | 10.omega | | | | 10.out | | | | 10.rho | | | | 11.omega | | | | 11.out | | | | 11.rho | | | | 12.omega | | | | 12.out | | | | 12.rho | | | | 13.omega | | | | 13.out | | | | 13.rho | | | | 14.omega | | | | 14.out | | | | 14.rho | | | | 15.omega | | | | 15.out | | | | 15.rho | | | | 16.omega | | | | 16.out | | | | 16.rho | | | | 17.omega | | | | 17.out | | | | 17.rho | | | | 18.omega | | | | 18.out | | | | 18.rho | | | | 19.omega | | | | 19.out | | | | 19.rho | | | | 2.omega | | | | 2.out | | | | 2.rho | | | | 20.omega | | | | 20.out | | | | 20.rho | | | | 21.omega | | | | 21.out | | | | 21.rho | | | | 22.omega | | | | 22.out | | | | 22.rho | | | | 23.omega | | | | 23.out | | | | 23.rho | | | | 24.omega | | | | 24.out | | | | 24.rho | | | | 25.omega | | | | 25.out | | | | 25.rho | | | | 26.omega | | | | 26.out | | | | 26.rho | | | | 27.omega | | | | 27.out | | | | 27.rho | | | | 28.omega | | | | 28.out | | | | 28.rho | | | | 29.omega | | | | 29.out | | | | 29.rho | | | | 3.omega | | | | 3.out | | | | 3.rho | | | | 30.omega | | | | 30.out | | | | 30.rho | | | | 31.omega | | | | 31.out | | | | 31.rho | | | | 32.omega | | | | 32.out | | | | 32.rho | | | | 33.omega | | | | 33.out | | | | 33.rho | | | | 34.omega | | | | 34.out | | | | 34.rho | | | | 35.omega | | | | 35.out | | | | 35.rho | | | | 36.omega | | | | 36.out | | | | 36.rho | | | | 37.omega | | | | 37.out | | | | 37.rho | | | | 38.omega | | | | 38.out | | | | 38.rho | | | | 39.omega | | | | 39.out | | | | 39.rho | | | | 4.omega | | | | 4.out | | | | 4.rho | | | | 40.omega | | | | 40.out | | | | 40.rho | | | | 5.omega | | | | 5.out | | | | 5.rho | | | | 6.omega | | | | 6.out | | | | 6.rho | | | | 7.omega | | | | 7.out | | | | 7.rho | | | | 8.omega | | | | 8.out | | | | 8.rho | | | | 9.omega | | | | 9.out | | | | 9.rho | | | | | | | \---ref_prev | | | 0.omega | | | 0.out | | | 0.rho | | | 1.omega | | | 1.out | | | 1.rho | | | 2.omega | | | 2.out | | | 2.rho | | | 3.omega | | | 3.out | | | 3.rho | | | 4.omega | | | 4.out | | | 4.rho | | | 5.omega | | | 5.out | | | 5.rho | | | 6.omega | | | 6.out | | | 6.rho | | | 7.omega | | | 7.out | | | 7.rho | | | | | \---P6mm | | | compare.py | | | dis | | | hex | | | in | | | in.omega | | | pscf | | | | | +---f_gt_030 | | | | in | | | | in.omega | | | | pscf | | | | | | | \---ref | | | 0.omega | | | 0.out | | | 0.rho | | | | | \---ref | | 0.omega | | 0.out | | 0.rho | | 1.omega | | 1.out | | 1.rho | | 10.omega | | 10.out | | 10.rho | | 11.omega | | 11.out | | 11.rho | | 12.omega | | 12.out | | 12.rho | | 13.omega | | 13.out | | 13.rho | | 14.omega | | 14.out | | 14.rho | | 15.omega | | 15.out | | 15.rho | | 16.omega | | 16.out | | 16.rho | | 17.omega | | 17.out | | 17.rho | | 18.omega | | 18.out | | 18.rho | | 19.omega | | 19.out | | 19.rho | | 2.omega | | 2.out | | 2.rho | | 20.omega | | 20.out | | 20.rho | | 21.omega | | 21.out | | 21.rho | | 22.omega | | 22.out | | 22.rho | | 23.omega | | 23.out | | 23.rho | | 24.omega | | 24.out | | 24.rho | | 25.omega | | 25.out | | 25.rho | | 26.omega | | 26.out | | 26.rho | | 27.omega | | 27.out | | 27.rho | | 28.omega | | 28.out | | 28.rho | | 29.omega | | 29.out | | 29.rho | | 3.omega | | 3.out | | 3.rho | | 30.omega | | 30.out | | 30.rho | | 31.omega | | 31.out | | 31.rho | | 4.omega | | 4.out | | 4.rho | | 5.omega | | 5.out | | 5.rho | | 6.omega | | 6.out | | 6.rho | | 7.omega | | 7.out | | 7.rho | | 8.omega | | 8.out | | 8.rho | | 9.omega | | 9.out | | 9.rho | | | +---T_140 | | +---lam | | | | compare.py | | | | dis | | | | in | | | | in.omega | | | | lam | | | | pscf | | | | | | | +---ref | | | | 0.omega | | | | 0.out | | | | 0.rho | | | | 1.omega | | | | 1.out | | | | 1.rho | | | | 10.omega | | | | 10.out | | | | 10.rho | | | | 11.omega | | | | 11.out | | | | 11.rho | | | | 12.omega | | | | 12.out | | | | 12.rho | | | | 13.omega | | | | 13.out | | | | 13.rho | | | | 14.omega | | | | 14.out | | | | 14.rho | | | | 15.omega | | | | 15.out | | | | 15.rho | | | | 16.omega | | | | 16.out | | | | 16.rho | | | | 17.omega | | | | 17.out | | | | 17.rho | | | | 18.omega | | | | 18.out | | | | 18.rho | | | | 19.omega | | | | 19.out | | | | 19.rho | | | | 2.omega | | | | 2.out | | | | 2.rho | | | | 20.omega | | | | 20.out | | | | 20.rho | | | | 21.omega | | | | 21.out | | | | 21.rho | | | | 22.omega | | | | 22.out | | | | 22.rho | | | | 23.omega | | | | 23.out | | | | 23.rho | | | | 24.omega | | | | 24.out | | | | 24.rho | | | | 25.omega | | | | 25.out | | | | 25.rho | | | | 26.omega | | | | 26.out | | | | 26.rho | | | | 27.omega | | | | 27.out | | | | 27.rho | | | | 28.omega | | | | 28.out | | | | 28.rho | | | | 29.omega | | | | 29.out | | | | 29.rho | | | | 3.omega | | | | 3.out | | | | 3.rho | | | | 30.omega | | | | 30.out | | | | 30.rho | | | | 31.omega | | | | 31.out | | | | 31.rho | | | | 32.omega | | | | 32.out | | | | 32.rho | | | | 33.omega | | | | 33.out | | | | 33.rho | | | | 34.omega | | | | 34.out | | | | 34.rho | | | | 35.omega | | | | 35.out | | | | 35.rho | | | | 36.omega | | | | 36.out | | | | 36.rho | | | | 37.omega | | | | 37.out | | | | 37.rho | | | | 38.omega | | | | 38.out | | | | 38.rho | | | | 39.omega | | | | 39.out | | | | 39.rho | | | | 4.omega | | | | 4.out | | | | 4.rho | | | | 40.omega | | | | 40.out | | | | 40.rho | | | | 5.omega | | | | 5.out | | | | 5.rho | | | | 6.omega | | | | 6.out | | | | 6.rho | | | | 7.omega | | | | 7.out | | | | 7.rho | | | | 8.omega | | | | 8.out | | | | 8.rho | | | | 9.omega | | | | 9.out | | | | 9.rho | | | | | | | \---unit_cell_f_07 | | | | compare.py | | | | dis | | | | in | | | | in.omega | | | | lam | | | | | | | \---ref | | | 0.omega | | | 0.out | | | 0.rho | | | 1.omega | | | 1.out | | | 1.rho | | | 10.omega | | | 10.out | | | 10.rho | | | 11.omega | | | 11.out | | | 11.rho | | | 12.omega | | | 12.out | | | 12.rho | | | 13.omega | | | 13.out | | | 13.rho | | | 14.omega | | | 14.out | | | 14.rho | | | 15.omega | | | 15.out | | | 15.rho | | | 16.omega | | | 16.out | | | 16.rho | | | 17.omega | | | 17.out | | | 17.rho | | | 18.omega | | | 18.out | | | 18.rho | | | 19.omega | | | 19.out | | | 19.rho | | | 2.omega | | | 2.out | | | 2.rho | | | 20.omega | | | 20.out | | | 20.rho | | | 21.omega | | | 21.out | | | 21.rho | | | 22.omega | | | 22.out | | | 22.rho | | | 23.omega | | | 23.out | | | 23.rho | | | 24.omega | | | 24.out | | | 24.rho | | | 25.omega | | | 25.out | | | 25.rho | | | 26.omega | | | 26.out | | | 26.rho | | | 27.omega | | | 27.out | | | 27.rho | | | 28.omega | | | 28.out | | | 28.rho | | | 29.omega | | | 29.out | | | 29.rho | | | 3.omega | | | 3.out | | | 3.rho | | | 30.omega | | | 30.out | | | 30.rho | | | 31.omega | | | 31.out | | | 31.rho | | | 32.omega | | | 32.out | | | 32.rho | | | 33.omega | | | 33.out | | | 33.rho | | | 34.omega | | | 34.out | | | 34.rho | | | 35.omega | | | 35.out | | | 35.rho | | | 36.omega | | | 36.out | | | 36.rho | | | 37.omega | | | 37.out | | | 37.rho | | | 38.omega | | | 38.out | | | 38.rho | | | 39.omega | | | 39.out | | | 39.rho | | | 4.omega | | | 4.out | | | 4.rho | | | 40.omega | | | 40.out | | | 40.rho | | | 41.omega | | | 41.out | | | 41.rho | | | 42.omega | | | 42.out | | | 42.rho | | | 43.omega | | | 43.out | | | 43.rho | | | 44.omega | | | 44.out | | | 44.rho | | | 45.omega | | | 45.out | | | 45.rho | | | 46.omega | | | 46.out | | | 46.rho | | | 47.omega | | | 47.out | | | 47.rho | | | 48.omega | | | 48.out | | | 48.rho | | | 49.omega | | | 49.out | | | 49.rho | | | 5.omega | | | 5.out | | | 5.rho | | | 50.omega | | | 50.out | | | 50.rho | | | 6.omega | | | 6.out | | | 6.rho | | | 7.omega | | | 7.out | | | 7.rho | | | 8.omega | | | 8.out | | | 8.rho | | | 9.omega | | | 9.out | | | 9.rho | | | | | \---P6mm | | | compare.py | | | dis | | | hex | | | in | | | in.omega | | | pscf | | | | | \---ref | | 0.omega | | 0.out | | 0.rho | | 1.omega | | 1.out | | 1.rho | | 10.omega | | 10.out | | 10.rho | | 11.omega | | 11.out | | 11.rho | | 12.omega | | 12.out | | 12.rho | | 13.omega | | 13.out | | 13.rho | | 14.omega | | 14.out | | 14.rho | | 15.omega | | 15.out | | 15.rho | | 16.omega | | 16.out | | 16.rho | | 17.omega | | 17.out | | 17.rho | | 18.omega | | 18.out | | 18.rho | | 19.omega | | 19.out | | 19.rho | | 2.omega | | 2.out | | 2.rho | | 20.omega | | 20.out | | 20.rho | | 21.omega | | 21.out | | 21.rho | | 22.omega | | 22.out | | 22.rho | | 23.omega | | 23.out | | 23.rho | | 24.omega | | 24.out | | 24.rho | | 25.omega | | 25.out | | 25.rho | | 26.omega | | 26.out | | 26.rho | | 27.omega | | 27.out | | 27.rho | | 28.omega | | 28.out | | 28.rho | | 29.omega | | 29.out | | 29.rho | | 3.omega | | 3.out | | 3.rho | | 30.omega | | 30.out | | 30.rho | | 31.omega | | 31.out | | 31.rho | | 32.omega | | 32.out | | 32.rho | | 33.omega | | 33.out | | 33.rho | | 34.omega | | 34.out | | 34.rho | | 35.omega | | 35.out | | 35.rho | | 36.omega | | 36.out | | 36.rho | | 37.omega | | 37.out | | 37.rho | | 38.omega | | 38.out | | 38.rho | | 39.omega | | 39.out | | 39.rho | | 4.omega | | 4.out | | 4.rho | | 40.omega | | 40.out | | 40.rho | | 5.omega | | 5.out | | 5.rho | | 6.omega | | 6.out | | 6.rho | | 7.omega | | 7.out | | 7.rho | | 8.omega | | 8.out | | 8.rho | | 9.omega | | 9.out | | 9.rho | | | +---T_150 | | | .DS_Store | | | | | +---lam | | | | compare.py | | | | dis | | | | in | | | | in.omega | | | | lam | | | | pscf | | | | | | | +---f_06 | | | | | in | | | | | in.omega | | | | | pscf | | | | | | | | | \---ref | | | | 0.omega | | | | 0.out | | | | 0.rho | | | | 1.omega | | | | 1.out | | | | 1.rho | | | | 10.omega | | | | 10.out | | | | 10.rho | | | | 11.omega | | | | 11.out | | | | 11.rho | | | | 12.omega | | | | 12.out | | | | 12.rho | | | | 13.omega | | | | 13.out | | | | 13.rho | | | | 14.omega | | | | 14.out | | | | 14.rho | | | | 15.omega | | | | 15.out | | | | 15.rho | | | | 16.omega | | | | 16.out | | | | 16.rho | | | | 17.omega | | | | 17.out | | | | 17.rho | | | | 18.omega | | | | 18.out | | | | 18.rho | | | | 19.omega | | | | 19.out | | | | 19.rho | | | | 2.omega | | | | 2.out | | | | 2.rho | | | | 20.omega | | | | 20.out | | | | 20.rho | | | | 21.omega | | | | 21.out | | | | 21.rho | | | | 22.omega | | | | 22.out | | | | 22.rho | | | | 23.omega | | | | 23.out | | | | 23.rho | | | | 24.omega | | | | 24.out | | | | 24.rho | | | | 25.omega | | | | 25.out | | | | 25.rho | | | | 26.omega | | | | 26.out | | | | 26.rho | | | | 27.omega | | | | 27.out | | | | 27.rho | | | | 28.omega | | | | 28.out | | | | 28.rho | | | | 29.omega | | | | 29.out | | | | 29.rho | | | | 3.omega | | | | 3.out | | | | 3.rho | | | | 30.omega | | | | 30.out | | | | 30.rho | | | | 4.omega | | | | 4.out | | | | 4.rho | | | | 5.omega | | | | 5.out | | | | 5.rho | | | | 6.omega | | | | 6.out | | | | 6.rho | | | | 7.omega | | | | 7.out | | | | 7.rho | | | | 8.omega | | | | 8.out | | | | 8.rho | | | | 9.omega | | | | 9.out | | | | 9.rho | | | | | | | +---ref | | | | 0.omega | | | | 0.out | | | | 0.rho | | | | 1.omega | | | | 1.out | | | | 1.rho | | | | 10.omega | | | | 10.out | | | | 10.rho | | | | 11.omega | | | | 11.out | | | | 11.rho | | | | 12.omega | | | | 12.out | | | | 12.rho | | | | 13.omega | | | | 13.out | | | | 13.rho | | | | 14.omega | | | | 14.out | | | | 14.rho | | | | 15.omega | | | | 15.out | | | | 15.rho | | | | 16.omega | | | | 16.out | | | | 16.rho | | | | 17.omega | | | | 17.out | | | | 17.rho | | | | 18.omega | | | | 18.out | | | | 18.rho | | | | 19.omega | | | | 19.out | | | | 19.rho | | | | 2.omega | | | | 2.out | | | | 2.rho | | | | 20.omega | | | | 20.out | | | | 20.rho | | | | 21.omega | | | | 21.out | | | | 21.rho | | | | 22.omega | | | | 22.out | | | | 22.rho | | | | 23.omega | | | | 23.out | | | | 23.rho | | | | 24.omega | | | | 24.out | | | | 24.rho | | | | 25.omega | | | | 25.out | | | | 25.rho | | | | 26.omega | | | | 26.out | | | | 26.rho | | | | 27.omega | | | | 27.out | | | | 27.rho | | | | 28.omega | | | | 28.out | | | | 28.rho | | | | 29.omega | | | | 29.out | | | | 29.rho | | | | 3.omega | | | | 3.out | | | | 3.rho | | | | 30.omega | | | | 30.out | | | | 30.rho | | | | 4.omega | | | | 4.out | | | | 4.rho | | | | 5.omega | | | | 5.out | | | | 5.rho | | | | 6.omega | | | | 6.out | | | | 6.rho | | | | 7.omega | | | | 7.out | | | | 7.rho | | | | 8.omega | | | | 8.out | | | | 8.rho | | | | 9.omega | | | | 9.out | | | | 9.rho | | | | | | | \---unit_cell_f_06 | | | | compare.py | | | | dis | | | | in | | | | in.omega | | | | lam | | | | pscf | | | | | | | \---ref | | | 0.omega | | | 0.out | | | 0.rho | | | 1.omega | | | 1.out | | | 1.rho | | | 10.omega | | | 10.out | | | 10.rho | | | 11.omega | | | 11.out | | | 11.rho | | | 12.omega | | | 12.out | | | 12.rho | | | 13.omega | | | 13.out | | | 13.rho | | | 14.omega | | | 14.out | | | 14.rho | | | 15.omega | | | 15.out | | | 15.rho | | | 16.omega | | | 16.out | | | 16.rho | | | 17.omega | | | 17.out | | | 17.rho | | | 18.omega | | | 18.out | | | 18.rho | | | 19.omega | | | 19.out | | | 19.rho | | | 2.omega | | | 2.out | | | 2.rho | | | 20.omega | | | 20.out | | | 20.rho | | | 21.omega | | | 21.out | | | 21.rho | | | 22.omega | | | 22.out | | | 22.rho | | | 23.omega | | | 23.out | | | 23.rho | | | 24.omega | | | 24.out | | | 24.rho | | | 25.omega | | | 25.out | | | 25.rho | | | 26.omega | | | 26.out | | | 26.rho | | | 27.omega | | | 27.out | | | 27.rho | | | 28.omega | | | 28.out | | | 28.rho | | | 29.omega | | | 29.out | | | 29.rho | | | 3.omega | | | 3.out | | | 3.rho | | | 30.omega | | | 30.out | | | 30.rho | | | 4.omega | | | 4.out | | | 4.rho | | | 5.omega | | | 5.out | | | 5.rho | | | 6.omega | | | 6.out | | | 6.rho | | | 7.omega | | | 7.out | | | 7.rho | | | 8.omega | | | 8.out | | | 8.rho | | | 9.omega | | | 9.out | | | 9.rho | | | | | \---P6mm | | | .DS_Store | | | compare.py | | | dis | | | hex | | | in | | | in.omega | | | pscf | | | | | \---ref | | 0.omega | | 0.out | | 0.rho | | 1.omega | | 1.out | | 1.rho | | 10.omega | | 10.out | | 10.rho | | 11.omega | | 11.out | | 11.rho | | 12.omega | | 12.out | | 12.rho | | 13.omega | | 13.out | | 13.rho | | 14.omega | | 14.out | | 14.rho | | 15.omega | | 15.out | | 15.rho | | 16.omega | | 16.out | | 16.rho | | 17.omega | | 17.out | | 17.rho | | 18.omega | | 18.out | | 18.rho | | 19.omega | | 19.out | | 19.rho | | 2.omega | | 2.out | | 2.rho | | 20.omega | | 20.out | | 20.rho | | 21.omega | | 21.out | | 21.rho | | 22.omega | | 22.out | | 22.rho | | 23.omega | | 23.out | | 23.rho | | 24.omega | | 24.out | | 24.rho | | 25.omega | | 25.out | | 25.rho | | 26.omega | | 26.out | | 26.rho | | 27.omega | | 27.out | | 27.rho | | 28.omega | | 28.out | | 28.rho | | 29.omega | | 29.out | | 29.rho | | 3.omega | | 3.out | | 3.rho | | 30.omega | | 30.out | | 30.rho | | 4.omega | | 4.out | | 4.rho | | 5.omega | | 5.out | | 5.rho | | 6.omega | | 6.out | | 6.rho | | 7.omega | | 7.out | | 7.rho | | 8.omega | | 8.out | | 8.rho | | 9.omega | | 9.out | | 9.rho | | | +---T_160 | | +---lam | | | | compare.py | | | | dis | | | | in | | | | in.omega | | | | lam | | | | pscf | | | | | | | \---ref | | | 0.omega | | | 0.out | | | 0.rho | | | 1.omega | | | 1.out | | | 1.rho | | | 10.omega | | | 10.out | | | 10.rho | | | 11.omega | | | 11.out | | | 11.rho | | | 12.omega | | | 12.out | | | 12.rho | | | 13.omega | | | 13.out | | | 13.rho | | | 14.omega | | | 14.out | | | 14.rho | | | 15.omega | | | 15.out | | | 15.rho | | | 16.omega | | | 16.out | | | 16.rho | | | 17.omega | | | 17.out | | | 17.rho | | | 18.omega | | | 18.out | | | 18.rho | | | 19.omega | | | 19.out | | | 19.rho | | | 2.omega | | | 2.out | | | 2.rho | | | 20.omega | | | 20.out | | | 20.rho | | | 21.omega | | | 21.out | | | 21.rho | | | 22.omega | | | 22.out | | | 22.rho | | | 23.omega | | | 23.out | | | 23.rho | | | 24.omega | | | 24.out | | | 24.rho | | | 25.omega | | | 25.out | | | 25.rho | | | 26.omega | | | 26.out | | | 26.rho | | | 27.omega | | | 27.out | | | 27.rho | | | 28.omega | | | 28.out | | | 28.rho | | | 29.omega | | | 29.out | | | 29.rho | | | 3.omega | | | 3.out | | | 3.rho | | | 30.omega | | | 30.out | | | 30.rho | | | 31.omega | | | 31.out | | | 31.rho | | | 32.omega | | | 32.out | | | 32.rho | | | 33.omega | | | 33.out | | | 33.rho | | | 34.omega | | | 34.out | | | 34.rho | | | 35.omega | | | 35.out | | | 35.rho | | | 36.omega | | | 36.out | | | 36.rho | | | 37.omega | | | 37.out | | | 37.rho | | | 38.omega | | | 38.out | | | 38.rho | | | 39.omega | | | 39.out | | | 39.rho | | | 4.omega | | | 4.out | | | 4.rho | | | 40.omega | | | 40.out | | | 40.rho | | | 5.omega | | | 5.out | | | 5.rho | | | 6.omega | | | 6.out | | | 6.rho | | | 7.omega | | | 7.out | | | 7.rho | | | 8.omega | | | 8.out | | | 8.rho | | | 9.omega | | | 9.out | | | 9.rho | | | | | \---P6mm | | | compare.py | | | dis | | | hex | | | in | | | in.omega | | | pscf | | | | | \---ref | | 0.omega | | 0.out | | 0.rho | | 1.omega | | 1.out | | 1.rho | | 10.omega | | 10.out | | 10.rho | | 11.omega | | 11.out | | 11.rho | | 12.omega | | 12.out | | 12.rho | | 13.omega | | 13.out | | 13.rho | | 14.omega | | 14.out | | 14.rho | | 15.omega | | 15.out | | 15.rho | | 16.omega | | 16.out | | 16.rho | | 17.omega | | 17.out | | 17.rho | | 18.omega | | 18.out | | 18.rho | | 19.omega | | 19.out | | 19.rho | | 2.omega | | 2.out | | 2.rho | | 20.omega | | 20.out | | 20.rho | | 21.omega | | 21.out | | 21.rho | | 3.omega | | 3.out | | 3.rho | | 4.omega | | 4.out | | 4.rho | | 5.omega | | 5.out | | 5.rho | | 6.omega | | 6.out | | 6.rho | | 7.omega | | 7.out | | 7.rho | | 8.omega | | 8.out | | 8.rho | | 9.omega | | 9.out | | 9.rho | | | +---T_170 | | +---lam | | | | compare.py | | | | dis | | | | in | | | | in.omega | | | | lam | | | | pscf | | | | | | | \---ref | | | 0.omega | | | 0.out | | | 0.rho | | | 1.omega | | | 1.out | | | 1.rho | | | 10.omega | | | 10.out | | | 10.rho | | | 11.omega | | | 11.out | | | 11.rho | | | 12.omega | | | 12.out | | | 12.rho | | | 13.omega | | | 13.out | | | 13.rho | | | 14.omega | | | 14.out | | | 14.rho | | | 15.omega | | | 15.out | | | 15.rho | | | 16.omega | | | 16.out | | | 16.rho | | | 17.omega | | | 17.out | | | 17.rho | | | 18.omega | | | 18.out | | | 18.rho | | | 19.omega | | | 19.out | | | 19.rho | | | 2.omega | | | 2.out | | | 2.rho | | | 20.omega | | | 20.out | | | 20.rho | | | 21.omega | | | 21.out | | | 21.rho | | | 22.omega | | | 22.out | | | 22.rho | | | 23.omega | | | 23.out | | | 23.rho | | | 24.omega | | | 24.out | | | 24.rho | | | 25.omega | | | 25.out | | | 25.rho | | | 26.omega | | | 26.out | | | 26.rho | | | 27.omega | | | 27.out | | | 27.rho | | | 28.omega | | | 28.out | | | 28.rho | | | 29.omega | | | 29.out | | | 29.rho | | | 3.omega | | | 3.out | | | 3.rho | | | 30.omega | | | 30.out | | | 30.rho | | | 31.omega | | | 31.out | | | 31.rho | | | 32.omega | | | 32.out | | | 32.rho | | | 33.omega | | | 33.out | | | 33.rho | | | 34.omega | | | 34.out | | | 34.rho | | | 35.omega | | | 35.out | | | 35.rho | | | 36.omega | | | 36.out | | | 36.rho | | | 37.omega | | | 37.out | | | 37.rho | | | 38.omega | | | 38.out | | | 38.rho | | | 39.omega | | | 39.out | | | 39.rho | | | 4.omega | | | 4.out | | | 4.rho | | | 40.omega | | | 40.out | | | 40.rho | | | 5.omega | | | 5.out | | | 5.rho | | | 6.omega | | | 6.out | | | 6.rho | | | 7.omega | | | 7.out | | | 7.rho | | | 8.omega | | | 8.out | | | 8.rho | | | 9.omega | | | 9.out | | | 9.rho | | | | | \---P6mm | | | compare.py | | | dis | | | hex | | | in | | | in.omega | | | pscf | | | | | \---ref | | 0.omega | | 0.out | | 0.rho | | 1.omega | | 1.out | | 1.rho | | 10.omega | | 10.out | | 10.rho | | 11.omega | | 11.out | | 11.rho | | 12.omega | | 12.out | | 12.rho | | 13.omega | | 13.out | | 13.rho | | 14.omega | | 14.out | | 14.rho | | 15.omega | | 15.out | | 15.rho | | 2.omega | | 2.out | | 2.rho | | 3.omega | | 3.out | | 3.rho | | 4.omega | | 4.out | | 4.rho | | 5.omega | | 5.out | | 5.rho | | 6.omega | | 6.out | | 6.rho | | 7.omega | | 7.out | | 7.rho | | 8.omega | | 8.out | | 8.rho | | 9.omega | | 9.out | | 9.rho | | | +---T_180 | | +---lam | | | | compare.py | | | | dis | | | | in | | | | in.omega | | | | lam | | | | pscf | | | | | | | \---ref | | | | 0.omega | | | | 0.out | | | | 0.rho | | | | 1.omega | | | | 1.out | | | | 1.rho | | | | 10.omega | | | | 10.out | | | | 10.rho | | | | 11.omega | | | | 11.out | | | | 11.rho | | | | 12.omega | | | | 12.out | | | | 12.rho | | | | 13.omega | | | | 13.out | | | | 13.rho | | | | 14.omega | | | | 14.out | | | | 14.rho | | | | 15.omega | | | | 15.out | | | | 15.rho | | | | 16.omega | | | | 16.out | | | | 16.rho | | | | 17.omega | | | | 17.out | | | | 17.rho | | | | 18.omega | | | | 18.out | | | | 18.rho | | | | 19.omega | | | | 19.out | | | | 19.rho | | | | 2.omega | | | | 2.out | | | | 2.rho | | | | 20.omega | | | | 20.out | | | | 20.rho | | | | 21.omega | | | | 21.out | | | | 21.rho | | | | 22.omega | | | | 22.out | | | | 22.rho | | | | 23.omega | | | | 23.out | | | | 23.rho | | | | 24.omega | | | | 24.out | | | | 24.rho | | | | 25.omega | | | | 25.out | | | | 25.rho | | | | 26.omega | | | | 26.out | | | | 26.rho | | | | 27.omega | | | | 27.out | | | | 27.rho | | | | 28.omega | | | | 28.out | | | | 28.rho | | | | 29.omega | | | | 29.out | | | | 29.rho | | | | 3.omega | | | | 3.out | | | | 3.rho | | | | 30.omega | | | | 30.out | | | | 30.rho | | | | 4.omega | | | | 4.out | | | | 4.rho | | | | 5.omega | | | | 5.out | | | | 5.rho | | | | 6.omega | | | | 6.out | | | | 6.rho | | | | 7.omega | | | | 7.out | | | | 7.rho | | | | 8.omega | | | | 8.out | | | | 8.rho | | | | 9.omega | | | | 9.out | | | | 9.rho | | | | | | | +---f_012 | | | | | in | | | | | in.omega | | | | | | | | | \---ref | | | | omega | | | | out | | | | rho | | | | | | | \---f_090 | | | | in | | | | in.omega | | | | | | | \---ref | | | omega | | | out | | | rho | | | | | \---P6mm | | | compare.py | | | dis | | | hex | | | in | | | in.omega | | | pscf | | | | | \---ref | | | 0.omega | | | 0.out | | | 0.rho | | | 1.omega | | | 1.out | | | 1.rho | | | 2.omega | | | 2.out | | | 2.rho | | | 3.omega | | | 3.out | | | 3.rho | | | 4.omega | | | 4.out | | | 4.rho | | | 5.omega | | | 5.out | | | 5.rho | | | 6.omega | | | 6.out | | | 6.rho | | | 7.omega | | | 7.out | | | 7.rho | | | 8.omega | | | 8.out | | | 8.rho | | | 9.omega | | | 9.out | | | 9.rho | | | | | \---f_gt_010 | | | in | | | in.omega | | | pscf | | | | | \---ref | | 0.omega | | 0.out | | 0.rho | | | +---T_190 | | +---lam | | | | compare.py | | | | dis | | | | in | | | | in.omega | | | | lam | | | | pscf | | | | | | | \---ref | | | 0.omega | | | 0.out | | | 0.rho | | | 1.omega | | | 1.out | | | 1.rho | | | 10.omega | | | 10.out | | | 10.rho | | | 11.omega | | | 11.out | | | 11.rho | | | 12.omega | | | 12.out | | | 12.rho | | | 13.omega | | | 13.out | | | 13.rho | | | 14.omega | | | 14.out | | | 14.rho | | | 15.omega | | | 15.out | | | 15.rho | | | 16.omega | | | 16.out | | | 16.rho | | | 17.omega | | | 17.out | | | 17.rho | | | 18.omega | | | 18.out | | | 18.rho | | | 19.omega | | | 19.out | | | 19.rho | | | 2.omega | | | 2.out | | | 2.rho | | | 20.omega | | | 20.out | | | 20.rho | | | 21.omega | | | 21.out | | | 21.rho | | | 22.omega | | | 22.out | | | 22.rho | | | 23.omega | | | 23.out | | | 23.rho | | | 24.omega | | | 24.out | | | 24.rho | | | 25.omega | | | 25.out | | | 25.rho | | | 26.omega | | | 26.out | | | 26.rho | | | 27.omega | | | 27.out | | | 27.rho | | | 28.omega | | | 28.out | | | 28.rho | | | 29.omega | | | 29.out | | | 29.rho | | | 3.omega | | | 3.out | | | 3.rho | | | 30.omega | | | 30.out | | | 30.rho | | | 4.omega | | | 4.out | | | 4.rho | | | 5.omega | | | 5.out | | | 5.rho | | | 6.omega | | | 6.out | | | 6.rho | | | 7.omega | | | 7.out | | | 7.rho | | | 8.omega | | | 8.out | | | 8.rho | | | 9.omega | | | 9.out | | | 9.rho | | | | | \---P6mm | | | compare.py | | | dis | | | hex | | | in | | | in.omega | | | pscf | | | | | \---ref | | 0.omega | | 0.out | | 0.rho | | 1.omega | | 1.out | | 1.rho | | 2.omega | | 2.out | | 2.rho | | 3.omega | | 3.out | | 3.rho | | 4.omega | | 4.out | | 4.rho | | | \---T_200 | +---lam | | | compare.py | | | dis | | | in | | | in.omega | | | lam | | | pscf | | | | | \---ref | | 0.omega | | 0.out | | 0.rho | | 1.omega | | 1.out | | 1.rho | | 10.omega | | 10.out | | 10.rho | | 11.omega | | 11.out | | 11.rho | | 12.omega | | 12.out | | 12.rho | | 13.omega | | 13.out | | 13.rho | | 14.omega | | 14.out | | 14.rho | | 15.omega | | 15.out | | 15.rho | | 16.omega | | 16.out | | 16.rho | | 17.omega | | 17.out | | 17.rho | | 18.omega | | 18.out | | 18.rho | | 19.omega | | 19.out | | 19.rho | | 2.omega | | 2.out | | 2.rho | | 20.omega | | 20.out | | 20.rho | | 21.omega | | 21.out | | 21.rho | | 22.omega | | 22.out | | 22.rho | | 23.omega | | 23.out | | 23.rho | | 24.omega | | 24.out | | 24.rho | | 25.omega | | 25.out | | 25.rho | | 26.omega | | 26.out | | 26.rho | | 27.omega | | 27.out | | 27.rho | | 28.omega | | 28.out | | 28.rho | | 29.omega | | 29.out | | 29.rho | | 3.omega | | 3.out | | 3.rho | | 30.omega | | 30.out | | 30.rho | | 4.omega | | 4.out | | 4.rho | | 5.omega | | 5.out | | 5.rho | | 6.omega | | 6.out | | 6.rho | | 7.omega | | 7.out | | 7.rho | | 8.omega | | 8.out | | 8.rho | | 9.omega | | 9.out | | 9.rho | | | \---P6mm | | compare.py | | dis | | hex | | in | | in.omega | | pscf | | | \---ref | 0.omega | 0.out | 0.rho | +---poly_2 | | .DS_Store | | pscf | | | +---exp_poly | | | .DS_Store | | | extract.sh | | | lam | | | | | +---T_120 | | | \---lam | | | | in | | | | in.omega | | | | | | | \---ref | | | omega | | | out | | | rho | | | | | +---T_130 | | | \---lam | | | | in | | | | in.omega | | | | | | | \---ref | | | omega | | | out | | | rho | | | | | +---T_140 | | | \---lam | | | | in | | | | in.omega | | | | | | | \---ref | | | omega | | | out | | | rho | | | | | +---T_150 | | | | .DS_Store | | | | | | | +---lam | | | | | .DS_Store | | | | | in | | | | | in.omega | | | | | | | | | +---ref | | | | | omega | | | | | out | | | | | rho | | | | | | | | | \---separate_S | | | | | .DS_Store | | | | | copy_column_1D.py | | | | | in | | | | | in.omega | | | | | in_field | | | | | new | | | | | | | | | \---ref | | | | omega | | | | out | | | | rho | | | | rho_rgrid_conv | | | | | | | \---P6mm | | | | .DS_Store | | | | in | | | | in.omega | | | | | | | +---low_res | | | | 0.omega | | | | 0.out | | | | 0.rho | | | | | | | \---ref | | | 0.omega | | | 0.out | | | 0.rho | | | | | +---T_160 | | | | .DS_Store | | | | | | | \---lam | | | | .DS_Store | | | | in | | | | in.omega | | | | | | | \---ref | | | omega | | | out | | | rho | | | | | \---T_170 | | +---lam | | | | in | | | | in.omega | | | | | | | \---ref | | | omega | | | out | | | rho | | | | | \---P6mm | | | in | | | in.omega | | | | | \---ref | +---lam | | | in | | | in.omega | | | | | \---ref | | omega | | out | | rho | | | +---P6mm | | | .DS_Store | | | in | | | in.omega | | | | | \---ref | +---T_120 | | | .DS_Store | | | | | +---lam | | | | compare.py | | | | in | | | | in.omega | | | | | | | \---ref | | \---P6mm | | | .DS_Store | | | compare.py | | | in | | | in.omega | | | | | \---ref | +---T_150 | | | .DS_Store | | | | | +---lam | | | | compare.py | | | | dis | | | | in | | | | in.omega | | | | lam | | | | pscf | | | | | | | \---ref | | | 0.omega | | | 0.out | | | 0.rho | | | 1.omega | | | 1.out | | | 1.rho | | | 10.omega | | | 10.out | | | 10.rho | | | 11.omega | | | 11.out | | | 11.rho | | | 12.omega | | | 12.out | | | 12.rho | | | 13.omega | | | 13.out | | | 13.rho | | | 14.omega | | | 14.out | | | 14.rho | | | 15.omega | | | 15.out | | | 15.rho | | | 16.omega | | | 16.out | | | 16.rho | | | 17.omega | | | 17.out | | | 17.rho | | | 18.omega | | | 18.out | | | 18.rho | | | 19.omega | | | 19.out | | | 19.rho | | | 2.omega | | | 2.out | | | 2.rho | | | 20.omega | | | 20.out | | | 20.rho | | | 21.omega | | | 21.out | | | 21.rho | | | 22.omega | | | 22.out | | | 22.rho | | | 23.omega | | | 23.out | | | 23.rho | | | 24.omega | | | 24.out | | | 24.rho | | | 25.omega | | | 25.out | | | 25.rho | | | 26.omega | | | 26.out | | | 26.rho | | | 27.omega | | | 27.out | | | 27.rho | | | 28.omega | | | 28.out | | | 28.rho | | | 29.omega | | | 29.out | | | 29.rho | | | 3.omega | | | 3.out | | | 3.rho | | | 30.omega | | | 30.out | | | 30.rho | | | 4.omega | | | 4.out | | | 4.rho | | | 5.omega | | | 5.out | | | 5.rho | | | 6.omega | | | 6.out | | | 6.rho | | | 7.omega | | | 7.out | | | 7.rho | | | 8.omega | | | 8.out | | | 8.rho | | | 9.omega | | | 9.out | | | 9.rho | | | | | \---P6mm | | | .DS_Store | | | compare.py | | | dis | | | hex | | | in | | | in.omega | | | pscf | | | | | +---f_gt_13 | | | | .DS_Store | | | | in | | | | in.omega | | | | pscf | | | | | | | \---ref | | | 0.omega | | | 0.out | | | 0.rho | | | | | +---ref | | | 0.omega | | | 0.out | | | 0.rho | | | 1.omega | | | 1.out | | | 1.rho | | | 10.omega | | | 10.out | | | 10.rho | | | 11.omega | | | 11.out | | | 11.rho | | | 12.omega | | | 12.out | | | 12.rho | | | 13.omega | | | 13.out | | | 13.rho | | | 2.omega | | | 2.out | | | 2.rho | | | 3.omega | | | 3.out | | | 3.rho | | | 4.omega | | | 4.out | | | 4.rho | | | 5.omega | | | 5.out | | | 5.rho | | | 6.omega | | | 6.out | | | 6.rho | | | 7.omega | | | 7.out | | | 7.rho | | | 8.omega | | | 8.out | | | 8.rho | | | 9.omega | | | 9.out | | | 9.rho | | | | | \---separate_S | | | .DS_Store | | | comp.png | | | composite.fig | | | composite.png | | | composite_new.fig | | | composite_new.png | | | copy_column_2D.py | | | density_110.fig | | | in | | | in.omega | | | in_field | | | new | | | omega_new | | | polymer_visual.m | | | rho_hex_diff_S.dat | | | tetrablock_visual_Diff_S.m | | | | | +---low_res | | | | in | | | | in.omega | | | | in_field | | | | rho_hex_diff_S.dat | | | | tetrablock_visual_Diff_S.m | | | | | | | \---ref | | | omega | | | out | | | rho | | | rho_rgrid_conv | | | | | \---ref | | omega | | out | | rho | | rho_rgrid_conv | | | +---T_180 | | | .DS_Store | | | | | +---lam | | | | compare.py | | | | dis | | | | in | | | | in.omega | | | | lam | | | | pscf | | | | | | | \---ref | | | 0.omega | | | 0.out | | | 0.rho | | | 1.omega | | | 1.out | | | 1.rho | | | 10.omega | | | 10.out | | | 10.rho | | | 11.omega | | | 11.out | | | 11.rho | | | 12.omega | | | 12.out | | | 12.rho | | | 13.omega | | | 13.out | | | 13.rho | | | 14.omega | | | 14.out | | | 14.rho | | | 15.omega | | | 15.out | | | 15.rho | | | 16.omega | | | 16.out | | | 16.rho | | | 17.omega | | | 17.out | | | 17.rho | | | 18.omega | | | 18.out | | | 18.rho | | | 19.omega | | | 19.out | | | 19.rho | | | 2.omega | | | 2.out | | | 2.rho | | | 20.omega | | | 20.out | | | 20.rho | | | 21.omega | | | 21.out | | | 21.rho | | | 22.omega | | | 22.out | | | 22.rho | | | 23.omega | | | 23.out | | | 23.rho | | | 24.omega | | | 24.out | | | 24.rho | | | 25.omega | | | 25.out | | | 25.rho | | | 26.omega | | | 26.out | | | 26.rho | | | 27.omega | | | 27.out | | | 27.rho | | | 28.omega | | | 28.out | | | 28.rho | | | 29.omega | | | 29.out | | | 29.rho | | | 3.omega | | | 3.out | | | 3.rho | | | 30.omega | | | 30.out | | | 30.rho | | | 4.omega | | | 4.out | | | 4.rho | | | 5.omega | | | 5.out | | | 5.rho | | | 6.omega | | | 6.out | | | 6.rho | | | 7.omega | | | 7.out | | | 7.rho | | | 8.omega | | | 8.out | | | 8.rho | | | 9.omega | | | 9.out | | | 9.rho | | | | | \---P6mm | | | .DS_Store | | | compare.py | | | in | | | in.omega | | | pscf | | | | | \---ref | \---T_240 | +---lam | | | compare.py | | | dis | | | in | | | in.omega | | | lam | | | pscf | | | | | \---ref | | 0.omega | | 0.out | | 0.rho | | 1.omega | | 1.out | | 1.rho | | 10.omega | | 10.out | | 10.rho | | 11.omega | | 11.out | | 11.rho | | 12.omega | | 12.out | | 12.rho | | 13.omega | | 13.out | | 13.rho | | 14.omega | | 14.out | | 14.rho | | 15.omega | | 15.out | | 15.rho | | 16.omega | | 16.out | | 16.rho | | 17.omega | | 17.out | | 17.rho | | 18.omega | | 18.out | | 18.rho | | 19.omega | | 19.out | | 19.rho | | 2.omega | | 2.out | | 2.rho | | 20.omega | | 20.out | | 20.rho | | 21.omega | | 21.out | | 21.rho | | 22.omega | | 22.out | | 22.rho | | 23.omega | | 23.out | | 23.rho | | 24.omega | | 24.out | | 24.rho | | 25.omega | | 25.out | | 25.rho | | 26.omega | | 26.out | | 26.rho | | 27.omega | | 27.out | | 27.rho | | 28.omega | | 28.out | | 28.rho | | 29.omega | | 29.out | | 29.rho | | 3.omega | | 3.out | | 3.rho | | 30.omega | | 30.out | | 30.rho | | 4.omega | | 4.out | | 4.rho | | 5.omega | | 5.out | | 5.rho | | 6.omega | | 6.out | | 6.rho | | 7.omega | | 7.out | | 7.rho | | 8.omega | | 8.out | | 8.rho | | 9.omega | | 9.out | | 9.rho | | | \---P6mm | | compare.py | | in | | in.omega | | | \---ref \---poly_3 | .DS_Store | pscf | +---exp_poly | | .DS_Store | | extract.sh | | hex | | lam | | | +---T_120 | | +---lam | | | | in | | | | in.omega | | | | | | | \---ref | | | omega | | | out | | | rho | | | | | \---P6mm | | | in | | | in.omega | | | | | \---ref | | omega | | out | | rho | | | +---T_130 | | +---lam | | | | in | | | | in.omega | | | | | | | \---ref | | | omega | | | out | | | rho | | | | | \---P6mm | | | in | | | in.omega | | | | | \---ref | | omega | | out | | rho | | | +---T_140 | | +---lam | | | | in | | | | in.omega | | | | | | | \---ref | | | omega | | | out | | | rho | | | | | \---P6mm | | | in | | | in.omega | | | | | \---ref | | omega | | out | | rho | | | +---T_150 | | | .DS_Store | | | | | +---lam | | | | in | | | | in.omega | | | | | | | +---ref | | | | omega | | | | out | | | | rho | | | | | | | \---separate_S | | | | copy_column_1D.py | | | | in | | | | in.omega | | | | in_field | | | | new | | | | | | | \---ref | | | omega | | | out | | | rho | | | rho_rgrid_conv | | | | | \---P6mm | | | .DS_Store | | | in | | | in.omega | | | | | +---ref | | | omega | | | out | | | rho | | | | | \---separate_S | | | .DS_Store | | | comp.png | | | composite.fig | | | composite.png | | | copy_column_2D.py | | | in | | | in.omega | | | in_field | | | new | | | polymer_visual_bkp.m | | | | | +---low_res | | | | in | | | | in.omega | | | | in_field | | | | rho_hex_diff_S.dat | | | | tetrablock_visual_Diff_S.m | | | | | | | \---ref | | | omega | | | out | | | rho | | | rho_rgrid_conv | | | | | \---ref | | omega | | out | | rho | | rho_rgrid_conv | | | +---T_160 | | +---lam | | | | in | | | | in.omega | | | | | | | \---ref | | | omega | | | out | | | rho | | | | | \---P6mm | | | in | | | in.omega | | | | | \---ref | | omega | | out | | rho | | | \---T_170 | +---lam | | | in | | | in.omega | | | | | \---ref | | omega | | out | | rho | | | \---P6mm | | in | | in.omega | | | +---ref | | omega | | out | | rho | | | \---separate_S | | .DS_Store | | copy_column_2D.py | | in | | in.omega | | in_field | | new | | polymer_visual_bkp.m | | tetrablock_visual_Diff_S.m | | | \---ref | omega | out | rho | rho_rgrid_conv | +---lam | | in | | in.omega | | | \---ref | omega | out | rho | +---P6mm | | in | | in.omega | | | \---ref | omega | out | rho | +---T_120 | +---lam | | | compare.py | | | in | | | in.omega | | | | | \---ref | \---P6mm | | compare.py | | in | | in.omega | | | \---ref +---T_150 | | .DS_Store | | | +---lam | | | compare.py | | | in | | | in.omega | | | | | \---ref | \---P6mm | | .DS_Store | | compare.py | | in | | in.omega | | pscf | | | +---f_06 | | | copy_column_2D.py | | | in | | | in.omega | | | in_field | | | new | | | polymer_visual_bkp.m | | | | | \---ref | | omega | | out | | rho | | rho_rgrid_conv | | | +---f_13 | | | copy_column_2D.py | | | in | | | in.omega | | | in_field | | | new | | | polymer_visual_bkp.m | | | | | \---ref | | omega | | out | | rho | | rho_rgrid_conv | | | \---ref | 0.omega | 0.out | 0.rho | 1.omega | 1.out | 1.rho | 10.omega | 10.out | 10.rho | 11.omega | 11.out | 11.rho | 12.omega | 12.out | 12.rho | 13.omega | 13.out | 13.rho | 14.omega | 14.out | 14.rho | 15.omega | 15.out | 15.rho | 16.omega | 16.out | 16.rho | 17.omega | 17.out | 17.rho | 2.omega | 2.out | 2.rho | 3.omega | 3.out | 3.rho | 4.omega | 4.out | 4.rho | 5.omega | 5.out | 5.rho | 6.omega | 6.out | 6.rho | 7.omega | 7.out | 7.rho | 8.omega | 8.out | 8.rho | 9.omega | 9.out | 9.rho | \---T_180 +---lam | | compare.py | | dis | | in | | in.omega | | lam | | pscf | | | \---ref | 0.omega | 0.out | 0.rho | 1.omega | 1.out | 1.rho | 10.omega | 10.out | 10.rho | 11.omega | 11.out | 11.rho | 12.omega | 12.out | 12.rho | 13.omega | 13.out | 13.rho | 14.omega | 14.out | 14.rho | 15.omega | 15.out | 15.rho | 16.omega | 16.out | 16.rho | 17.omega | 17.out | 17.rho | 18.omega | 18.out | 18.rho | 19.omega | 19.out | 19.rho | 2.omega | 2.out | 2.rho | 20.omega | 20.out | 20.rho | 21.omega | 21.out | 21.rho | 22.omega | 22.out | 22.rho | 23.omega | 23.out | 23.rho | 24.omega | 24.out | 24.rho | 25.omega | 25.out | 25.rho | 26.omega | 26.out | 26.rho | 27.omega | 27.out | 27.rho | 28.omega | 28.out | 28.rho | 29.omega | 29.out | 29.rho | 3.omega | 3.out | 3.rho | 30.omega | 30.out | 30.rho | 4.omega | 4.out | 4.rho | 5.omega | 5.out | 5.rho | 6.omega | 6.out | 6.rho | 7.omega | 7.out | 7.rho | 8.omega | 8.out | 8.rho | 9.omega | 9.out | 9.rho | \---P6mm | compare.py | in | in.omega | \---ref