Dear Victor A suitable PW PP is already in the library... H.pz-vbc_125.UPF
I've used the PBE version of this PP for years; you can safely mix it with US pseudopotentials to saturate a metallic bottom layer of GaN, GaAs, InAs... HTH Giuseppe On Monday 04 June 2012 11:17:17 Paolo Giannozzi wrote: > On Jun 3, 2012, at 23:36 , Lorenzo Paulatto wrote: > > does not allow you to have a non-integer nuclear charge. > > However the zed variable is indeed a real number, so maybe > > the functionality is there but it has never been tested, or not > > tested for 20 years. > > less than 5: I think I used it to generate some H PPs with > bogus charge (3/4, 2/3, ...) for usage as saturators (the > only usage you can think of) > > 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 > > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum -- ******************************************************** - Article premier - Les hommes naissent et demeurent libres et ?gaux en droits. Les distinctions sociales ne peuvent ?tre fond?es que sur l'utilit? commune - Article 2 - Le but de toute association politique est la conservation des droits naturels et imprescriptibles de l'homme. Ces droits sont la libert?, la propri?t?, la s?ret? et la r?sistance ? l'oppression. ******************************************************** Giuseppe Mattioli CNR - ISTITUTO DI STRUTTURA DELLA MATERIA v. Salaria Km 29,300 - C.P. 10 I 00015 - Monterotondo Stazione (RM) Tel + 39 06 90672836 - Fax +39 06 90672316 E-mail: <giuseppe.mattioli at ism.cnr.it> -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120604/944bec3d/attachment.htm
