Dear Gao Zhe, CMC Lab, Materials Science & Engineering Department, Seoul National University, South Korea
Thanks for your kind response. I am calculating phonons for 4X4X4 q-mesh for Ni2MnGa. But my calculations doesnot match previous papers. Is there any chance of getting by increasing to 6X6X6 or 8X8X8 q mesh? How can we give direction to a particular q1Xq2Xq3 mesh? Is this assigning direction related with matdyn.in file? Regards, Sayananda Chab Junior Research Fellow Department of Physics Gauhati University Guwahati 781014 (+91)950-895-6853 email: csatya11 at gmail.com -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120816/c24410dc/attachment.htm