[Pw_forum] Error in vc-relax

Paolo Giannozzi giannozz at nest.sns.it
Mon Sep 17 16:06:53 CEST 2007


Since complaints about the variable-cell optimization
show up more often than not: can anybody provide a
complete test job (i.e. one that can be rerun), with
complete output, showing a problem in a reproducible
way, in a reasonable amount of computer time, in a
recent versions of Q-E?

Paolo
---
Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222





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