[Pw_forum] about path_thr setting

njing, China -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110225/06833abc/attachment.htm

[Pw_forum] input name empty

While trying to run the example acetylene.in, have the following error, please help. Yuelin li ylli at ylliVB:~/Documents/temp$ pw.x < acetylene.in > acetylene.out STOP 2 ylli at ylliVB:~/Documents/temp$ cat acetylene.out Program PWSCF v.4.3a starts on 25Feb2011 at 17: 5:53

[Pw_forum] vectors for post processing calculation for hexagonal structure

), will it cover the *entire surface* of the hexagonal structure? I appreciate your help. P Shok -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110225/9cc5b84a/attachment.htm

[Pw_forum] [Pw_Forum] heat capacity

Dear Wilfredo, Can you, please, send me your input file, so that I can try to build the BZ for your case. You can get phonon DOS by means of matdyn.x and then use it (you shoud add a few additional info, see PHDOS.out file) in combination with F_QHA.x file. This will give you C_v, S and