[DFTB-Plus-User] calculation with 3ob-freq-1-1
Richie
ryetschye at web.de
Wed Jul 30 20:21:49 CEST 2014
dear dftb+ team,
i tried to start frequency calculations with 3ob-1-1 slater koster
files. then i found out, that there is a 3ob-freq-1-1 set, especial for
vibrational analysis. but the files are called *.ske and do not fulfill
the slater koster files standards.
how can one use these extension parameters?
thank you very much for your help.
richie gottschalk
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