Spinors's Parameter File

Optional key-block and parameters with default values: [XC]

[XC]
densmode(string)LDA, LSDA, GLSDAdefault: GLSDA
xcparam(string)XC parametrizationdefault: PZ81
rs_d(double)Wigner Seitz radius increments [a.u.]default: 0.01
rs_max(double)maximum Wigner Seitz radius [a.u.]default: 100.
rs_trouble(double)fraction of extrapolated values that are o.k.default: .1