cv

Cross-Validation code 3.48, by Axel van de Walle
-g            Favor cluster choices where the ground state line is correct (Default: Off)
-w=[real]     Weight structures by w/(struct_energy-gs_energy+w) (Default: 1000)
-p=[real]     Penality for structures that lie below the ground state line (Default: 0)
-d            Use all default values (Default: Off)
-h            Display Help (Default: Off)


[email protected] Wed, Dec 6, 2023 12:55:16 PM