On Jun 28, 2011, at 18:58 , Nicola Marzari wrote: > 1) the converter fhi2ups might have been changed in the last 5 years, > but now things work properly
it has changed, even recently, but I haven't seen anything justifying weird results. I remember however there have been reports of funny results with the fhi converter also in the past. Moreover, no later than two weeks ago, I got strange results with fhi converted LDA Si and O PP from Abinit tables. > 2) we should remove O.pbe-mt.UPF from the pseudo table, and > replace it with a O.pbe-mt-new.UPF, that is your O.cpi.UPF. will be done P. --- Paolo Giannozzi, Dept of Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222