exercises:2015_ethz_mmm:reaction_energy
Differences
This shows you the differences between two versions of the page.
Both sides previous revisionPrevious revision | Next revisionBoth sides next revision | ||
exercises:2015_ethz_mmm:reaction_energy [2015/04/16 15:30] – [1.Step] oschuett | exercises:2015_ethz_mmm:reaction_energy [2015/04/16 16:07] – oschuett | ||
---|---|---|---|
Line 19: | Line 19: | ||
<code - CH4.inp > | <code - CH4.inp > | ||
- | |||
&GLOBAL | &GLOBAL | ||
PROJECT CH4 | PROJECT CH4 | ||
Line 112: | Line 111: | ||
&END SUBSYS | &END SUBSYS | ||
&END FORCE_EVAL | &END FORCE_EVAL | ||
- | |||
- | |||
</ | </ | ||
Line 153: | Line 150: | ||
< | < | ||
- | |||
METHOD Quickstep | METHOD Quickstep | ||
& | & | ||
Line 159: | Line 155: | ||
| | ||
... | ... | ||
- | | ||
</ | </ | ||
Line 203: | Line 198: | ||
1 2 2 1 1 | 1 2 2 1 1 | ||
1.00000000 | 1.00000000 | ||
- | |||
</ | </ | ||
exercises/2015_ethz_mmm/reaction_energy.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1