I think that in this case you need to explicitly specify also the value for nelec because a test that 0<=nelup< =nelec is performed before the default for nelec is calculated. It should be fixed but it is not so straightforward as the default value is presently defined much later. stefano
Shaptrishi Sharma wrote: > Hi QE users, > > In one of my previous mail, I have asked about the spin polarisation > in a sytem having odd number of electrons , (I have 21 hydrogen atoms > in my system ). > > As suggested I used nelup =11 and neldw = 10, however, it is showing > me the same error, as > > nelp out of range. > so what shall I do now?? > > Thanks > > SS > > > ------------------------------------------------------------------------ > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum >
