Hi, Zhenyu, I think you may try to run the $espresso/example/example30, and take a look at README.
Regards, Hai-Ping On Wed, Feb 11, 2009 at 9:51 AM, Andrew Lee <andrewlee.cp at gmail.com> wrote: > I have a related question. With the current version of PWSCF, is it > possible only to do the electric field perturbation? If possible, how to > setup the input parameters? Thanks > Best, > Zhenyu > > University of Science and Technology of China > Hefei, Anhui 230026, China > > On Wed, Feb 11, 2009 at 1:07 AM, Ary Junior <aryjunior at gmail.com> wrote: > >> Hello, >> >> I have a very large system and I must do a phonon calculation. This >> calculation takes months, so I want to do with only few atoms. But the >> variable nat_todo seems to not work. When I enable the variable for a little >> system, it only makes the calculation ph.x to the atoms that I ask, but with >> my system of interest, no matter if I insert nat_todo, nrapp or maxirr, it >> continues making 3*n representations. >> >> Thanks very much! >> >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum at pwscf.org >> http://www.democritos.it/mailman/listinfo/pw_forum >> >> > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -- Hai-Ping Lan Department of Electronics , Peking University , Bejing, 100871 lanhaiping at gmail.com, hplan at pku.edu.cn -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090211/886892b2/attachment.htm
