subject:"\[Wien\] SCAN functional"

Re: [Wien] SCAN functional

2018-04-12 Thread tran

WIEN2k users <wien@zeus.theochem.tuwien.ac.at> To: wien@zeus.theochem.tuwien.ac.at Subject: Re: [Wien] SCAN functional Ok, thanks! But does this mean that I cannot calculate the magnetic moment with the SCAN functional, only energy vs volume ? Best regards, Nils On Thu, Apr 12, 2018 at 9

Re: [Wien] SCAN functional

2018-04-12 Thread Nils Longshower

Ok, thanks! But does this mean that I cannot calculate the magnetic moment with the SCAN functional, only energy vs volume ? Best regards, Nils On Thu, Apr 12, 2018 at 9:40 AM, Nils Longshower wrote: > Hi! > > I would like to try the new SCAN functional in

Re: [Wien] SCAN functional with spin polarization

2018-04-12 Thread tran

10:28, Nils Longshower wrote: Date: Thu, 12 Apr 2018 10:28:44 From: Nils Longshower <nils.longsho...@gmail.com> Reply-To: A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at> To: wien@zeus.theochem.tuwien.ac.at Subject: [Wien] SCAN functional with spin polarization Hi!