Dear All, In my calculation, I used a mixture of pseudo potentials, ie. norm-conserving pp (NC pp) for one element and ultrasoft pp (US pp) for another. If I don't specify ecutrho in the input, what will be the default value for ecutrho for the ultrasoft pp. I know that for NC pp, ecutrho = 4*ecutwfc, but I do not know if the same value is used for US pp. On the other hand, if I specify ecutrho = 8*ecutwfc, then does the same value apply to the NC pp.
Thank you very much, Vi University of Houston -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110530/eeb95881/attachment.htm