Hi, Yes, the first column is energy, the second one is total a2F.dos, and last 15 columns stand for
mode-projected a2F.dos for each mode. I suppose you have 5 atoms in your unit cell. Bests, Eyvaz. ------------------------------------------------------------------- Prof. Eyvaz Isaev, Department of Physics, Chemistry, and Biology (IFM), Linkoping University, Sweden Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, isaev at ifm.liu.se, eyvaz_isaev at yahoo.com ----- Original Message ---- From: wangwei <[email protected]> To: pw_forum at pwscf.org Sent: Tue, November 23, 2010 3:49:48 AM Subject: [Pw_forum] a2F.dos.1 Dear sir, I am calculating phonon properties, the file a2F.dos.1 as follows: Eliashberg function a2F (per both spin) frequencies in Rydberg DOS normalized to E in Rydberg: a2F_total, a2F(mode) 0.000061 -0.00000891 -0.00000529 -0.00000367 0.00000005 0.00000000 0.00000000 0.000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.000000 0.00000000 0.00000000 0.000183 -0.00024046 -0.00014282 -0.00009910 0.00000146 0.00000000 0.00000000 0.000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.000000 0.00000000 0.00000000 0.000305 -0.00120382 -0.00075069 -0.00045991 0.00000678 0.00000000 0.00000000 ............................ As we can read from header lines, the first column is frequency, the second column is a2F_total, but I do not understand what the last four columns stand for? Thanks for any reply! Best wishes! wangwei Huaibei Normal University _______________________________________________ Pw_forum mailing list Pw_forum at pwscf.org http://www.democritos.it/mailman/listinfo/pw_forum
