Jes?s Cruz ha scritto: > Dear pwscf users > Does anyone have generated a paw pseudopotential for Ti? would you > share the UPF file and/or the ld1 input file. I've attached it, it should work fine. Suggested cutoff is about 25 Ry, but you've better test it and density cutoff accurately. No guarantee is provided, as usual.
bye -- Lorenzo Paulatto SISSA & DEMOCRITOS (Trieste) phone: +39 040 3787 511 skype: paulatz www: http://people.sissa.it/~paulatto/ -------------- next part -------------- An embedded and charset-unspecified text was scrubbed... Name: Ti_3s3p.in Url: http://www.democritos.it/pipermail/pw_forum/attachments/20081030/d171aab9/attachment.txt
