[Pw_forum] calculation with 'CONSTRAINTS' cards

shruba at gmail.com shruba at gmail.com
Mon Mar 10 08:47:10 CET 2008

Dear all Pwscf forum users,

                         I am trying to run structural optimization using
'CONSTRAINTS' cards, form this link
 I checked the  keyword  'constrained-damp' and also I got the keywords in
pwgui, but when i am trying to use this, program is giving me  the error
message '   ion_dynamics 'constrained-damp' not allowed'. Can you please
tell me what  i need to specify in  ion-dynamics  =? .
               Sorry  for this question , I read the manual but  I am not
clear about it and I try to look for other Internet resources  espresso
examples and for old forum messages but I did not get much information, If
you please help me by providing any  information that will be really
           thanks in advance.
                               shruba gangopadhyay

shruba gangopadhyay
graduate student
department of chemistry
university of central florida
orlando, FL-32826
'friendship doubles joys and reduces sorrows by half' (Francis Bacon).
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