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Queries about input and output files, running specific calculations, etc.


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rezorva
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#1 Post by rezorva » Thu Jan 19, 2012 10:54 am

Hi everyone,

Im running a geometry optimization for BCN sheet, everything look very well, but after few second the program is shutdown or stopped, I get the following word:

POSCAR: B C H N
positions in cartesian coordinates

Some recommendation?

Thank you in advance...
Last edited by rezorva on Thu Jan 19, 2012 10:54 am, edited 1 time in total.

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#2 Post by admin » Fri Jan 20, 2012 11:43 am

Can give some more information like INCAR, POSCAR, KPOINTS and POTCAR files. From your post its hard to tell what went wrong.
Last edited by admin on Fri Jan 20, 2012 11:43 am, edited 1 time in total.

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