Dear Wangwei > 3. how can I plot phonon dispersion using the file of case.freq?
As for me, (may be not so good way), I use gnuplot after a little modifying *.freq file. If you can read python script, my junk program may help you. ( but, may be it is dirty for you, sorry. ) I attach a sample with this mail. --------------------------- -------------- next part -------------- A non-text attachment was scrubbed... Name: plotBAND.py Type: text/x-python-script Size: 4518 bytes Desc: not available Url : http://www.democritos.it/pipermail/pw_forum/attachments/20100723/e9a73072/attachment-0001.bin -------------- next part -------------- -------------- next part -------------- A non-text attachment was scrubbed... Name: cell.inp Type: application/octet-stream Size: 31 bytes Desc: not available Url : http://www.democritos.it/pipermail/pw_forum/attachments/20100723/e9a73072/attachment-0002.obj -------------- next part -------------- A non-text attachment was scrubbed... Name: MgO.phband.freq.out Type: application/octet-stream Size: 35831 bytes Desc: not available Url : http://www.democritos.it/pipermail/pw_forum/attachments/20100723/e9a73072/attachment-0003.obj -------------- next part -------------- usage: (1) plotBAND.py < MgO.phband.freq.out and then, you see "band.out". launch gnuplot, and (2) type "plot band.out" You should modify it to be appropriate figure. Hope this helps. and, if you find better way, please let me know : -) Haruhiko Dekura
