get_xc

dqc.get_xc(xcstr: str) → dqc.xc.base_xc.BaseXC

Returns the XC object based on the expression in xcstr.

Parameters

xcstr (str) – The expression of the xc string, e.g. "lda_x + gga_c_pbe" where the variable name will be replaced by the LibXC object

Returns

XC object based on the given expression

Return type

BaseXC