Dear All, After the scf calculation, I try to use projwfc.x to calculate the PDOS, but get an error message like this: Calling projwave .... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% from davcio : error # 10 error while reading from file %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
I am sure the inputfile is right and the related files exists, because I can calculate total DOS by dos.x correctly. I search the archive of this forum, the same problem was report several times, but no clear answer. I compiled pw.x and projwfc.x from the same version source code (v4.2.1). No matter I use 1 CPU or the same number CPUs as used in pw.x, I get the same error message. Does anyone can give some useful information about it? Best wishes. Yuyang Zhang Nanoscale Physics and Devices Laboratory Institute of Physics, Chinese Academy of Sciences Beijing 100190, P. R. China -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110222/1ec1611f/attachment.htm