[Pw_forum] pw.x not able to specity initial ion velocities
Paolo Giannozzi
giannozz at nest.sns.it
Wed Aug 23 20:39:39 CEST 2006
On Wednesday 23 August 2006 18:53, Konstantin Kudin wrote:
> Consider these lines in read_cards.f90 :
>
> ELSE IF ( TRIM(card) == 'ATOMIC_VELOCITIES' ) THEN
> !
> CALL card_ion_velocities( input_line )
> IF ( ( prog == 'PW' .OR. prog == 'CP' ) .AND. ionode ) &
> WRITE( stdout,'(A)') 'Warning: card '//trim(input_line)//'
ignored'
>
> What this piece of code is saying is that for either PW or CP the
> ATOMIC_VELOCITIES card is ignored (when is it supported then?).
with FPMD, which still runs if required (I think) and performs a few
things that either PW or CP do not yet suppport (I think). This is one :-)
Paolo
--
Paolo Giannozzi e-mail: giannozz at nest.sns.it
Scuola Normale Superiore Phone: +39/050-509876, Fax:-563513
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