Thanks a lot. Maosheng
On Nov 9, 2010, at 9:26 AM, Paolo Giannozzi wrote: > Maosheng Miao wrote: > >> your number is different to mine. Could you post the input file for Rh and >> Ir? > > &input > atom='Rh', > config='[Kr] 4d7.0 5s2.0 5p0.0', > dft='PBE' > / > > &input > atom='Ir', > config='[Xe] 4f14.0 5d7.0 6s2.0 6p0.0', > dft='PBE' > / > > -- > Paolo Giannozzi, Democritos and University of Udine, Italy > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum
