Dear PWSCF user, I want to calculate the pressure derivative of elastic constant for some of my cubic materials (ScP, ScN in NaCl phase). Please anybody tell me the procedure or refer any paper, where i get the method of calculating the pressure derivative of elastic constants (C11, C12, C44)
regards -- Bipul Rakshit Research Fellow, S N Bose Centre for Basic Sciences, Salt Lake, Kolkata 700 098 India -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100622/817fdc96/attachment.htm
