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number_of_accessible_atoms_for_electronic_state [2014/12/12 11:05] silja |
number_of_accessible_atoms_for_electronic_state [2014/12/12 11:06] silja |
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- | 5 | + | &OPTION |
- | -5 | + | |
- | + | ||
- | The range of states for wich number of accessible atoms is calculated can be limited. To limit range we use ''pop.optional'', which has 2 rows: lower energy range and upper energy range. | + | |
- | + | ||
- | &OPTION | + | |
basisfile = answer.bas | basisfile = answer.bas | ||
nstepf = 1 | nstepf = 1 | ||
Line 23: | Line 18: | ||
iwrtpop = 1 | iwrtpop = 1 | ||
&END | &END | ||
+ | |||
+ | The range of states for wich number of accessible atoms is calculated can be limited. To limit range we use ''pop.optional'', which has 2 rows: lower energy range and upper energy range. | ||
+ | |||
+ | 5 | ||
+ | -5 | ||
+ | |||
**output file** | **output file** | ||