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number_of_accessible_atoms_for_electronic_state [2014/12/12 10:32] silja |
number_of_accessible_atoms_for_electronic_state [2014/12/12 11:03] silja |
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**input files** | **input files** | ||
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To write out number of accessible atoms for electronic states keyword iwrtpop must be set equal to 1 in ''fireball.in'' inside &OUTPUT. ''fireball.in'' file should look like: | To write out number of accessible atoms for electronic states keyword iwrtpop must be set equal to 1 in ''fireball.in'' inside &OUTPUT. ''fireball.in'' file should look like: | ||
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**output file** | **output file** | ||
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Output is printed inside populations.dat file. Example of ''populations.dat'' file is shown below. | Output is printed inside populations.dat file. Example of ''populations.dat'' file is shown below. | ||