Dear people, It seems that my e-mail thanking Paolo Gianozzi for his answer was lost. Anyway, after reading this:
> you are reading from the standard output of program ph.x > instead of reading from file 'filelph' I wondered if I had to redo all my calculations. Due to the large queues in my cluster, I submitted a corrected script "just in case". However, I suspect I can manually write all the filelph I need. It seems that filelph has the following format: qx qy qz 10??? 3??? omega1^2 omega2^2 omega3^2 [ Gaussian Broadening: 0.010 Ry, ngauss= 1 [ DOS = 1.571120 states/spin/Ry/Unit Cell at Ef= 8.320255 eV [ and all those values I can find at the phonon output. So I wonder: a) What do the last two numbers of the first line mean? b) What are the omega^2 units? c) Is there any line I could omit? Thank you very much in advance, Miguel -- ---------------------------------------- Miguel Mart?nez Canales Dto. F?sica de la Materia Condensada UPV/EHU Facultad de Ciencia y Tecnolog?a Apdo. 644 48080 Bilbao (Spain) Fax: +34 94 601 3500 Tlf: +34 94 601 5437 ---------------------------------------- 2005 International Year of Physics
