[Pw_forum] strange error with monoclinic structure

Paolo Giannozzi giannozz at democritos.it
Fri Jul 29 08:09:59 CEST 2011


On Jul 28, 2011, at 17:04 , Jörg Buchwald wrote:

>      from davcio : error #        99
>      error while reading from file

if this happens at the beginning of the calculation, there may
be corrupted or inconsistent restart file in the scratch directory.
Your input works fine for me :
   http://www.fisica.uniud.it/~giannozz/public/boh.out
P.
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222







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