[Pw_forum] (no subject)
Paolo Giannozzi
giannozz at democritos.it
Wed Sep 7 18:55:26 CEST 2011
On Sep 7, 2011, at 18:12 , Xijun Wang wrote
:
> (2) Your K_POINTS card should be: K_POINTS {automatic}
> But you use: K_POINTS (automatic)
this should not be a problem: the code actually looks for "automatic",
not for "(" or "{". Also ignored: blank lines and inappropriate options
pot_extrapolation = 'second order', wfc_extrapolation = 'second order'
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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