Generating wannier90.up.win and wannier90.down.win files

[r.islam]

Hi, I am new to Wannier90 v3.1.0

I am trying to generate the Wannier input files using Vasp v6.3.2 for FeNi as an example. while I could generate
wannier90.1.amn, wannier90.2.eig, wannier90.2.wout, wannier90.wout, wannier90.1.mmn, wannier90.2.amn, wannier90.1.chk, wannier90.2.mmn, wannier90.1.win, wannier90.2.win, wannier90.1.eig, wannier90.1.wout, wannier90.2.chk, wannier90.win, wannier90.wout

But I could not generate wannier90.upwin and wannier90.down.win files to further proceed with the calculations. First I have run standard DFT calculations and used the generated WAVECAR to run the next step.

Here I have attached the Vasp inputs for everyone to check.

Please guide me through this issue.

Thank you in advance.
Riyajul Islam

INCAR
#SCF calculation
System = FeNi
PREC = Normal
ISTART = 1
ICHARG = 2

#Electronic optimization
ENCUT = 600
ISMEAR = 0
SIGMA = 0.01

#Ionic relaxation
IBRION = -1
NSW = 0
EDIFF = 1E-6
EDIFFG = -0.01

#Spin-polarization calculations
ISPIN = 2
LORBIT = 11
MAGMOM = 2*5.0

LWANNIER90_RUN = .TRUE.
LWANNIER90 =.TRUE.
LWRITE_MMN_AMN = .TRUE.

NUM_WANN = 12

WANNIER90_WIN = "
spinors=.true.
#exclude_bands=1-8
Begin Projections
Fe:d;s
Ni:d;s
End Projections
"

ISYM = 2
LWAVE = .FALSE.
LCHARG = .FALSE.

NCORE = 1

POSCAR
FeNi
1.0000000000000000
2.5111618546964145 0.0000000000000000 0.0000000000000002
0.0000000000000004 2.5111618546964145 0.0000000000000002
-0.0000000000000000 0.0000000000000000 3.5864193993385105
Fe Ni
1 1
Direct
-0.0000000000000000 -0.0000000000000000 0.0000000000000000
0.5000000000000000 0.5000000000000000 0.5000000000000000

[fabien_tran1]

Hi,

Are wannier90.1.win and wannier90.2.win not the files that you expect to be generated? By using your INCAR and POSCAR, the calculation finished properly.

[r.islam]

Hi,
I was expecting the .up.win and .down.win files. But it seems vasp usually generates .1.win and .2.win, which corresponds to .up.win and .down.win. I was confused about that initially.

[fabien_tran1]

Besides, wannier90.1.win and wannier90.2.win seem to be the same as wannier90.win.