Not writing all the atom species in the OUTCAR

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l.bellarosa

Not writing all the atom species in the OUTCAR

#1 Post by l.bellarosa » Mon Oct 28, 2013 12:52 pm

Dear users,

while I was extracting some information from the OUTCAR file, I found what I think is a bug.

If you have more than 10 atom types in your POSCAR, the last 11-X are not written in the OUTCAR.
If you check at the line:

"ions per type = ..." in the OUTCAR, it reports at most 10 atom groups.

Please, if possible correct it in the next version,
and thank you in advance for listening (actually, reading ??),

Luca
Last edited by l.bellarosa on Mon Oct 28, 2013 12:52 pm, edited 1 time in total.

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Not writing all the atom species in the OUTCAR

#2 Post by admin » Wed Oct 30, 2013 4:59 pm

please simply modify the FORMAT statement
7205 FORMAT(
....
in main.F
Last edited by admin on Wed Oct 30, 2013 4:59 pm, edited 1 time in total.

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