Viewing all changes in revision 758.
- Committer: Nils Wittemeier
- Date: 2019-04-02 07:58:03 UTC
- mfrom: (755.1.1 trunk_ts_soc)
- Revision ID: nils@4wittemeier.de-20190402075803-qcnqxozwp43ur4ha
Adjusted calculation of Mulliken charges for NC/SO calculations.
Fixed error calculation of density matrix in NC/SO part of TS.
Implemented fermi-shift during set-up of HS in NC/SO part of TS.
This was missing because symmetrization was removed.
Fixed error calculation of density matrix in NC/SO part of TS.
Implemented fermi-shift during set-up of HS in NC/SO part of TS.
This was missing because symmetrization was removed.
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