exercises:2015_ethz_mmm:hfx_h2ion
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| Both sides previous revisionPrevious revisionNext revision | Previous revision | ||
| exercises:2015_ethz_mmm:hfx_h2ion [2015/05/07 10:26] – sclelia | exercises:2015_ethz_mmm:hfx_h2ion [2020/08/21 10:15] (current) – external edit 127.0.0.1 | ||
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| &PBE | &PBE | ||
| SCALE_X 0.5 ! amount of PBE eXchange (vary consistently with the HF/ | SCALE_X 0.5 ! amount of PBE eXchange (vary consistently with the HF/ | ||
| - | SCALE_C 1.0 ! amount of PBE Correlation | + | SCALE_C 1.0 ! amount of PBE Correlation. DO NOT VARY!!!!!! |
| &END | &END | ||
| &END XC_FUNCTIONAL | &END XC_FUNCTIONAL | ||
exercises/2015_ethz_mmm/hfx_h2ion.1430994408.txt.gz · Last modified: 2020/08/21 10:14 (external edit)