[Pw_forum] [SUSPECTED SPAM-Ironport] (no subject)
Giuseppe Mattioli
giuseppe.mattioli at mlib.ism.cnr.it
Wed Sep 7 14:29:49 CEST 2011
Dear Winfred
I suspect that nobody will help you if you do not:
a) choose a meaningful subject for your post (e.g., tio2 supercell unexpected
pw.x crash)
b) sign your post (with your scientific affiliation)
c) provide more details (e.g., QE version, pw.x output, ...)
Yours
Giuseppe
On Wednesday 07 September 2011 14:22:30 Winfred Mulwa wrote:
> Dear all
>
> I have tried doing a vc-relax on the attached TiO2 rutile supercell,
> the calculations stop after a few minutes without giving any error.
>
> What might be the problem?
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Giuseppe Mattioli
CNR - ISTITUTO DI STRUTTURA DELLA MATERIA
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