Institute for Theoretical Chemistry, University of Cologne

Pseudopotentials, ECPs

POSSIBLE OPTIONS: element=ELEMENT bset=BSET ecp=ECP job=getecp|getbset|listecps|listbsets|getreadme getecp: output ECP, -e and -ecp are required getbset: output basis set,element,ecp and bset are required listbsets: output the list of basis sets, element and ecp are required listecps: output the list of ecps, element is required getreadme: output the Read_me_first from FILENAME getrefs: output the References from FILENAME