Dear Seitsonen > Thank you very much for your reply! It really helps a lot! Thank you very > very much!!!!!!!!!!
2015-01-02 17:22 GMT+08:00 Ari P Seitsonen <[email protected]>: > > Dear <-->, [ Please include your name and affiliation ] > > Did you already look in PSLibrary, also a FAQ: > > http://www.quantum-espresso.org/faq/pseudopotentials/#2.1 > > http://www.quantum-espresso.org/pseudopotentials/pslibrary/ > > For example with PBE I find > > W.rel-pbe-spfn-kjpaw_psl.1.0.0.UPF > W.rel-pbe-spn-kjpaw_psl.1.0.0.UPF > W.rel-pbe-spfn-rrkjus_psl.1.0.0.UPF > W.rel-pbe-spn-rrkjus_psl.1.0.0.UPF > > I did not check if it would include a norm-conserving one too, should > you be looking for one. > > Greetings from Montrouge, > > apsi > > -=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*= > -=*=-=*=-=*=-=*=- > Ari Paavo Seitsonen / [email protected] / http://www.iki.fi/~apsi/ > Ecole Normale Supérieure (ENS), Département de Chimie, Paris > Mobile (F) : +33 789 37 24 25 (CH) : +41 79 71 90 935 > > > > On Fri, 2 Jan 2015, 刘慧美 wrote: > > >> Dear all:I'd like to perform calculations for W with soc effect, however I >> can't find the suitable SOC pseudopotential for W. Can anybody tell me >> how >> to solve this? >> >> Thank you very much! >> > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
_______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
