exercises:2014_ethz_mmm:hfx_h2ion
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| Both sides previous revisionPrevious revision | Next revisionBoth sides next revision | ||
| exercise:hfx_h2ion [2014/04/10 15:06] – oschuett | exercise:hfx_h2ion [2014/04/10 15:32] – oschuett | ||
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| Line 8: | Line 8: | ||
| ===== Required Files ===== | ===== Required Files ===== | ||
| + | |||
| + | ==== Input File ==== | ||
| <code - H2ion.inp> | <code - H2ion.inp> | ||
| &GLOBAL | &GLOBAL | ||
| Line 77: | Line 79: | ||
| </ | </ | ||
| + | ==== Basis Set ==== | ||
| <code - HFX_BASIS> | <code - HFX_BASIS> | ||
| H DZVP-GTH | H DZVP-GTH | ||
| Line 101: | Line 104: | ||
| </ | </ | ||
| + | ==== Pseudo Potential ==== | ||
| <code - POTENTIAL> | <code - POTENTIAL> | ||
| H GTH-PBE-q1 | H GTH-PBE-q1 | ||
exercises/2014_ethz_mmm/hfx_h2ion.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1