Dear Sanjeev, ? I understand the theoretical aspect of this concept, but i don't know how to do the calculation with pwscf. This is the reason why i repeated the question on the forum if anybody can give me the description of how the input file will look like. And if you cab help with the description, i will appreciate it.
Thanks, Ibrahim Adetunji Bamidele Ibrahim Department of physics,University of Agriculture, Abeokuta, Ogun State,Nigeria. --- On Tue, 7/5/11, Sanjeev Gupta <physics.skgupta at gmail.com> wrote: From: Sanjeev Gupta <[email protected]> Subject: Re: [Pw_forum] can pwscf compute elastic constant? To: "PWSCF Forum" <pw_forum at pwscf.org> Date: Tuesday, July 5, 2011, 12:07 AM i do not understand, why u asked same question, while your answer was given in old post.Please see and dont make?separate. Best?Sanjeev On Tue, Jul 5, 2011 at 11:17 AM, bamidele ibrahim <bamideleibrahim at yahoo.com> wrote: Dear All, ? I want to know if the pwscf code can compute the elastic constant. If this is possible, can anybody with an idea give a description of how the input file for the calculation would look like. I will be delighted to read some lines from the forum. Ciao Adetunji Bamidele Ibrahim Department of physics,University of Agriculture, Abeokuta, Ogun State,Nigeria. _______________________________________________ Pw_forum mailing list Pw_forum at pwscf.org http://www.democritos.it/mailman/listinfo/pw_forum -- Dr. Sanjeev Kumar Gupta Post Doctoral Fellow, Department of Physics, Bhavnagar University, Bhavnagar-364 022 Gujarat, India -----Inline Attachment Follows----- _______________________________________________ Pw_forum mailing list Pw_forum at pwscf.org http://www.democritos.it/mailman/listinfo/pw_forum -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110706/4e6ef180/attachment.htm
