Il gio, 2004-03-25 alle 18:41, Silviu Zilberman ha scritto: > That is not the case for me, since I ran two identical calculations with > PW code, just changing the format of the PP. F. You mean that also in the PWSCF code you found a discrepancy between "raw" and UPF pseudo? Which version of the PWSCF code? > > Silviu.