[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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