Re: [Wien] PBE+D2/PBE

Bouafia wrote: Date: Sat, 18 May 2019 21:21:42 From: Hamza Bouafia Reply-To: A Mailing list for WIEN2k users To: A Mailing list for WIEN2k users Subject: Re: [Wien] PBE+D2/PBE Dear Pr. F. Tran Thank you very much for your reply We have studied a given compound in several structural phases

Re: [Wien] PBE+D2/PBE

fia wrote: > > >Date: Sat, 18 May 2019 20:34:14 > >From: Hamza Bouafia > >Reply-To: A Mailing list for WIEN2k users < > wien@zeus.theochem.tuwien.ac.at> > >To: wien@zeus.theochem.tuwien.ac.at > >Subject: [Wien] PBE+D2/PBE > > > >Dear Pr. P Blaha a

Re: [Wien] PBE+D2/PBE

wien@zeus.theochem.tuwien.ac.at Subject: [Wien] PBE+D2/PBE Dear Pr. P Blaha and WIEN2k users; Is PBE+D2 ( Grimme’s D2 correction ) included in the Wien2k code? I studied many structural phases of a given compound with GGA-PBE and i have found results that  are inconsistent with those of another paper that

[Wien] PBE+D2/PBE

Dear Pr. P Blaha and WIEN2k users; Is PBE+D2 ( Grimme’s D2 correction ) included in the Wien2k code? I studied many structural phases of a given compound with GGA-PBE and i have found results that are inconsistent with those of another paper that used PBE+D2. how to know which method is the rig