Dear QE developers and users,
I am trying to get Fermi surface using kvecs_FS.x and bands_FS.x. I have followed example08 and have succeeded to get K-points using kvecs_FS.x. However, I got following error message when I execute bands_FS.x: At line 230 of file bands_FS.f90 Fortran runtime error: Bad real number in item 13 of list input Line 230 of bands_FS.f90 is about reading spin-up energies.. But I have no idea why the code is not working. FYI, I added my input files for kvecs_FS.x and bands_FS.x: kvecs_FS.in: 0.317093 0.00 0.00 0.00 0.317093 0.00 0.00 0.00 0.317093 12 12 12 CWrium input_FS.in: 10 14 22.8158 CWrium 12 12 12 0.317093 0.00 0.00 0.00 0.317093 0.00 0.00 0.00 0.317093 Here, 10 14 are min. and max. band no. (no. of bands for my SCF calc. is 20), and 22.8158 is Fermi energy. Again, your help will truly be appreciated. I cc'ed Dr. Eyvaz Isaev who is the author of the two codes. Sincerely, Chan-Woo ------- Chan-Woo Lee, Ph.D. Postdoctoral Research Associate Department of Chemistry University of Pennsylvania 231 South 34th Street Philadelphia, PA 19104-6323 Phone: 1-215-898-3564 (Office) -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120301/20d8ad7e/attachment.htm
