I am calculated DOS for my material using spin-orbit coupling calculation. But I am only getting spin up part. No getting spin down part. Only 3 lines I am getting from DOSCAR file. I used P4vasp for getting data. In that also I am getting spin up alone. I attaching my INCAR and DOSCAR file with this.
INCAR
ISTART = 1 !0 Start job: 1 restart constant energy cut-off 2 restart constant basis set
ISMEAR = 1
#NSW = 0 ! simple scf test calculation
#ISIF = 4 ! 2-atom and 5-shape relax, keep vol const
IBRION = -1
LREAL= Auto
LWAVE = True
LCHARGE = True
LDAU = .TRUE.
LDAUTYPE = 2
LDAUL = 2 -1
LDAUU = 1.40 0.00
LDAUJ = 0.00 0.00
LDAUPRINT = 2
LMAXMIX = 4
LSORBIT = True
SAXIS = 0 0 1
LORBMOM = True
ISPIN = 2
MAGMOM = 0 0 5 0 0 5 6*0
VOSKOWN = 1
ENCUT = 650
LMAXMIX = 4
AMIX = 0.2
BMIX = 0.00001
AMIX_MAG = 0.8
BMIX_MAG = 0.00001
LORBIT = 11
POTIM = 0.408 ! reduce trial step to 10% (optimal=trial step x default POTIM)
EDIFF =1E-6 ! accuracy required 1E-7
NELMIN = 5
PREC = Accurate
EDIFFG = -0.05 ! accuracy for force 1 mRy/a.u.
SIGMA = 0.2
NEDOS = 2000
DOSCAR file
4 4 1 0
0.1783750E+02 0.3773952E-09 0.3773952E-09 0.5784563E-09 0.4080000E-15
1.000000000000000E-004
CAR
unknown system
16.24571771 -9.50026252 2000 5.38663671 1.00000000
-9.500 0.0000E+00 0.0000E+00
-9.487 0.0000E+00 0.0000E+00
-9.475 0.0000E+00 0.0000E+00
-9.462 0.0000E+00 0.0000E+00
-9.449 0.0000E+00 0.0000E+00
-9.436 0.0000E+00 0.0000E+00
-9.423 0.0000E+00 0.0000E+00
-9.410 0.0000E+00 0.0000E+00
-9.397 0.0000E+00 0.0000E+00
-9.384 0.0000E+00 0.0000E+00
-9.371 0.0000E+00 0.0000E+00
-9.359 0.0000E+00 0.0000E+00
-9.346 0.0000E+00 0.0000E+00
-9.333 0.0000E+00 0.0000E+00
-9.320 0.0000E+00 0.0000E+00
-9.307 0.0000E+00 0.0000E+00
-9.294 0.0000E+00 0.0000E+00
-9.281 0.0000E+00 0.0000E+00
-9.268 0.0000E+00 0.0000E+00
-9.256 0.0000E+00 0.0000E+00
-9.243 0.0000E+00 0.0000E+00
-9.230 0.0000E+00 0.0000E+00
-9.217 0.0000E+00 0.0000E+00
-9.204 0.0000E+00 0.0000E+00
-9.191 0.0000E+00 0.0000E+00
-9.178 0.0000E+00 0.0000E+00
-9.165 0.0000E+00 0.0000E+00
-9.153 0.0000E+00 0.0000E+00
only 3 lines I am getting. I used P4vasp for getting data. In that also I am getting spin up alone.
Not getting a spin polarised DOS in spin orbit coupling calculation
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Re: Not getting a spin polarised DOS in spin orbit coupling calculation
You can find the answer to your question here:
https://www.vasp.at/wiki/index.php/DOSCAR
In particular:
http://www.p4vasp.at/#/doc/dosbands
https://www.vasp.at/wiki/index.php/DOSCAR
In particular:
Documentation about how to plot the projected density of states using p4vasp is available here:For non-collinear calculations, information on the individual spinor components is available only for the site projected density of states
http://www.p4vasp.at/#/doc/dosbands