Dear all Pwscf forum users,<br> <br> I am trying to run structural optimization using 'CONSTRAINTS' cards, form this link<br><a href="http://ocw.mit.edu/NR/rdonlyres/Materials-Science-and-Engineering/3-320Spring-2005/6BC5DD49-CE4B-4397-BF9C-7A2073A6CF37/0/INPUT_PW.txt" target="_blank">http://ocw.mit.edu/NR/rdonlyres/Materials-Science-and-Engineering/3-320Spring-2005/6BC5DD49-CE4B-4397-BF9C-7A2073A6CF37/0/INPUT_PW.txt</a><br>
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 =? .<br>
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 helpful.<br>
thanks in advance.<br> shruba gangopadhyay<br><font color="#888888"><br></font><br clear="all"><br>-- <br>shruba gangopadhyay<br>graduate student<br>department of chemistry<br>university of central florida<br>
orlando, FL-32826<br>'friendship doubles joys and reduces sorrows by half' (Francis Bacon).