[Pw_forum] problem in calculation by 4.2.1 version

Paolo Giannozzi giannozz at democritos.it
Mon Oct 10 08:34:51 CEST 2011


On Oct 9, 2011, at 20:53 , yaldaa kh wrote:

> Bad data for namelist object starting_magnetization
> namelist read: misplaced= sign

the error message says everything

> starting_magnetization(1)= 0.5,
>  multiplicity= 2

you shouldn't use both. Actually you should use
"tot_magnetization" instead in this case

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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