exercises:2014_ethz_mmm:hfx_h2ion
Differences
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exercise:hfx_h2ion [2014/04/10 09:18] – sclelia | exercise:hfx_h2ion [2014/04/10 09:19] – sclelia | ||
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&SUBSYS | &SUBSYS | ||
& | & | ||
- | PERIODIC NONE | + | PERIODIC NONE ! the non periodicity has to be stated here and in the CELL section |
& | & | ||
&END | &END | ||
Line 58: | Line 58: | ||
&CELL | &CELL | ||
ABC 10.0 10.0 10.0 | ABC 10.0 10.0 10.0 | ||
- | PERIODIC NONE ! Non periodic calculation | + | PERIODIC NONE ! Non periodic calculation. Non periodicity has to be stated also in the TOPOLOGY section |
&END CELL | &END CELL | ||
&COORD | &COORD |
exercises/2014_ethz_mmm/hfx_h2ion.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1