ModulesΒΆ
Module to prepare job submission scripts |
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Module to write input files for QE band calculations |
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Module to process phonon frequency |
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Loading config.json file |
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Module to check if frequency is less than cutoff value |
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Module to prepare QE DOS input files |
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Module to write lambda.in files for calculating superconducting properties |
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This code extract data from lambda.out file and plot Tc vs sigma, fit Tc = exp(-A*sigma**(1/3) + B) to obtain the value of decay parameter "A". |
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Module to write input files to process phonon bandstructure |
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Module to create input file to compute phonon dispersion at high-symmetry BZ path |
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Module to plot atom-projected phonon band dispersion |
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Module to generate k-points |
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Creates input file for q2r.x |
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Converts .axsf file to cell positions |
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Module to create matdyn.x input files |