Hi, In my experience this kind of error appeares due to incomplete calculations in the previous step. So, check your output files.
Bests, Eyvaz. --- Miguel Mart?nez Canales <wmbmacam at lg.ehu.es> wrote: > Dear people, > > I'm still trying to get my hands on electron phonon > calculations with Al. > It finally seemed that I worked it out... but I was > wrong. I have > calculated the lambdas at a 8 8 8 regular grid > (given by kpoints.x). I am > using a PBE USPP, with 40 Ry and summing in a 24 24 > 24 kpoint grid. > > While some points work OK, some do not. I have done > the phonon and the > lambda calculation with the same nscf run > (elph=trans=.true.). The error > message I get is (al.elphon.out) the following: > > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > from phq_init : error # 1 > wrong order of k points > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > stopping... > > Could anybody shed some light? Thanks in advance, > > Miguel > > PS: 1 processor, 3gb of memory are being used > > -- > ---------------------------------------- > 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 > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > __________________________________ Yahoo! Mail - PC Magazine Editors' Choice 2005 http://mail.yahoo.com
