Dear* *All PW users and developers,* *Once i had requested for the calculation of thermodynamical properties of materials which i have done using QHA.
Sir now i wanted to study the anharmonic behaviour of that materials at high temperature using d3.x in qe. Sir the output format of d3.x was discussed in* http://www.democritos.it/pipermail/pw_forum/2012-February/023255.html*. But here i am unable to understand the output file format of d3.x due to less knowledge in programming part. Sir please help me in this regard. I shall be highly obliged to you. -- Thanks and Regards Bramha Prasad Pandey Ph.D Student Indian School of Mines(ISM) Dhanbad, INDIA. -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120805/8fa991c3/attachment.htm