lambda_in¶
Module to write lambda.in files for calculating superconducting properties
Functions
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Create lambda.in file for lambda.x. |
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Execute the main functionality. |
- lambda_in.lambda_in(compound, maxfreq, qgauss, smearing, mustar)[source]¶
Create lambda.in file for lambda.x.
Parameters: - compound (str): Name of the compound. - maxfreq (str): Maximum phonon frequency + 5 THz. - qgauss (str): Smearing for q-mesh integration. - smearing (str): Smearing type. - mustar (str): Coulomb potential.
Returns: None Example: >>> lambda_in(‘SiO2’, ‘30’, ‘0.01’, ‘gauss’, ‘0.13’) Suppose elph.out file available. If calculation is performed in multiple times, elph.out (latest), elph.out1 (first), elph.out2 (second),…. files available