S. K. S. wrote: > Dear Stefano, > > Thanks a lot for your helpful reply. It works fine. > Now the error is for Li-1s. > * Li-1s: (18:05:29)...STOP 2 > ld1 failed! Aborting... > > Should I use rmatch_augfun= 2.2 in this case ??? > not really , the error there is another one. I don't know how to solve it.
> In the same way, is it possible to generate Eu PAW using ld1.x ??? > as you are experiencing producing a pseudopotential or a PAW dataset is a non linear process... Paolo Giannozzi has recently updated the documentation about pseudopotential generation. I think it would be a good idea to read it carefully. stefano > With best regards, > Saha SK > > > ------------------------------------------------------------------------ > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum >
