[Pw_forum] one error in pw.x when calculating graphene supercell
Lorenzo Paulatto
paulatto at sissa.it
Fri Jul 18 08:50:25 CEST 2008
On Ven, Luglio 18, 2008 03:16, lfhuang at theory.issp.ac.cn wrote:
> from read_rho_xml : error # 1
> dimensions do not match
Dear Huang,
as you are not providing the full input I can only guess: you have
modified the cell parameters leaving the same prefix, but forgetting to
change restart_mode from "restart" to "from_scratch".
bye
--
Lorenzo Paulatto
SISSA & DEMOCRITOS (Trieste)
phone: +39 040 3787 511
skype: paulatz
www: http://people.sissa.it/~paulatto/
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