a cp2k input problem

yun an anyu... at gmail.com
Thu Dec 29 12:16:16 CET 2016


Dear sir/madam,

Sorry to trouble you. I am a new beginner for using CP2K, in the past few
days I came across a problem.  I want to do the cell opt for the 2X2X2
graphite, but the output file always showed that" An invalid set of cell
vectors was specified. The determinant det(h) is too small ". I don't find
the solution for it. Could you help me to see what's the reson for it?
Thank you very much.

The attachments are my input and output files. Thank you again and have a
nice day.

Best regards,
Sincerely,
Yun
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