Yes. The orbitals (and therefore also the electron density and magnetic moment) are determined by the potential (PBE).
On Thursday 2018-04-12 11:10, Nils Longshower wrote:
Date: Thu, 12 Apr 2018 11:10:18 From: Nils Longshower <nils.longsho...@gmail.com> Reply-To: A Mailing list for WIEN2k users <email@example.com> To: firstname.lastname@example.org 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 9:40 AM, Nils Longshower <nils.longsho...@gmail.com> wrote: Hi! I would like to try the new SCAN functional in spin-polarized calculations. Is there anything in addition to the instructions on p113 in the manual that need to be done in spin-polarized calculations? Are there any specific parameters that need to be set or monitored (except IFFT, GMAX and the usual parameters to ensure high numerical precision for meta-GGAs) ? Is it okay to use the default case.inm_vresp file as it is, provided things converge? Best regards, Nils
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