Institute for Theoretical Chemistry, University of Cologne |
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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 |
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