SOC (canted)

Queries about input and output files, running specific calculations, etc.


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sajjad
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Posts: 2
Joined: Wed Sep 09, 2015 2:41 pm

SOC (canted)

#1 Post by sajjad » Mon Oct 12, 2015 3:36 pm

Dear all
Can anyone guide me how to run AFM+U+SOC (canted) scf calculation? Actually I am done with AFM+U+SOC but now I need to add canted SOC. The INCAR for previous calculation is

ISMEAR = 0
SIGMA = 0.02
ENCUT = 500
LREAL= .F.
EDIFF = 1E-6
NELM = 100
ISPIN = 2
MAGMOM = 0 0 3 0 0 -3 0 0 1*0 0 0 1*0 0 0 1*0 0 0 1*0 0 0 2*0 0 0 2*0 0 0 2*0 0 0 2*0 0 0 14*0 0 0 14*0 0 0 14*0 0 0 14*0 0 0 14*0 0 0 14*0 0 0 14*0 0 0 14*0 0 0 14*0 0 0 14*0 0 0 14*0 0 0 14*0 0 0 14*0 0 0 14*0
LORBIT = 11
#DFT+U*******************
LDAU = .TRUE.
LDATYPE = 2
LDAUL = 2 -1 -1 -1 -1
LDAUU = 3 0 0 0
LDAUJ = 0 0 0 0
LMAXMIX = 4

#SOC***********
LSORBIT=.T.
LNONCOLLINER=.T.
SAXIS= 1 1 0
ISYM=0
GGA_COMPAT=.F.

#Geometry relaxation*********
NSW =0
ALGO = N
ISTART = 0

support_vasp
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Joined: Mon Nov 18, 2019 11:00 am

Re: SOC (canted)

#2 Post by support_vasp » Thu Sep 12, 2024 8:48 am

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP


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