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
SOC (canted)
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support_vasp
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Re: SOC (canted)
Hi,
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