[VASP] section

2025 July 12, updated

[VASP] section is required only if you use VASP (calc_code = VASP)

NameValueDefaultDescription
kppvolint [int …]Grid density per Å**(-3) of reciprocal cell in each stage.
force_gammaboolFalseIf true, force gamma-centered mesh.
vasp_MAGMOMfloat [float …]NoneUsed only for EA-vc. MAGMOM values for each element.
vasp_LDAULint [int …]NoneUsed only for EA-vc. LDAUL values for each element.
vasp_LDAUUfloat [float …]NoneUsed only for EA-vc. LDAUU values for each element.
vasp_LDAUJfloat [float …]NoneUsed only for EA-vc. LDAUJ values for each element.

kppvol and force gamma