exercises:2016_uzh_cmest:faq
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exercises:2016_uzh_cmest:faq [2016/12/07 13:15] – [How do I build a slab model for a surface?] scaravati | exercises:2016_uzh_cmest:faq [2016/12/12 14:53] – [How do I restart a calculation?] tmueller | ||
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- | ===== How do I restart a calculation? ===== | + | ===== My calculation |
- | There are two restart files usually produced by a run: | + | ==== ... and I use MULTIPLE_UNIT_CELL ==== |
- | * a binary file, typically ''//< | + | |
- | * a ASCII file, typically ''//< | + | |
- | To employ the WFs restart file it's enough to change in the input file '' | + | * first make sure that you actually need '' |
- | into '' | + | * if you are sure that you need it, make sure that it is specified two times: once in the [[https:// |
- | + | ||
- | Instead, to restart e.g. the positions of the atoms along a GEO_OPT run, you should add | + | |
- | a [[https:// | + | |
- | < | + | |
- | & | + | |
- | RESTART_FILE_NAME < | + | |
- | &END EXT_RESTART | + | |
- | </ | + | |
- | + | ||
- | where you should replace | + | |
exercises/2016_uzh_cmest/faq.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1