[DFTB-Plus-User] wavefunction coefficients for wfc.3ob-2-1
Richie
ryetschye at web.de
Mon Jan 26 20:59:01 CET 2015
hi there, i want to plot orbitals using 3ob slater koster set. but the
coefficients have floats as atomic numbers. this leads to a breakdown of
waveplot. cheers richie
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