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This shows you the differences between two versions of the page.

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] (current)
silja
Line 8: Line 8:
   
-  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**
 
number_of_accessible_atoms_for_electronic_state.txt · Last modified: 2014/12/12 11:06 by silja
 
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