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Good morning,
I am doing SOC calculations on some perovskites structure. I optimized the structure and got a reasonable geometry. On top of it I want to do a bandstructure calculation. From the INCAR below I get a PROCAR file empty. Can anyone kindly tell me where I am wrong? (Actually, I am very new with SOC and for this reason I tried to use the default for most of the SOC parameters). Thanks!
Giac


INCAR:
--------
SYSTEM = SrTaO2N

# xc
GGA = PE
ISTART = 1

#electronic relaxation
LREAL = Auto
PREC= High


ISMEAR = 0
SIGMA = 0.05
NELMIN = 4
NELM = 200

ISPIN=2

IBRION = 1

#accuracy of the calculation
EDIFF = 1.E-6 ! 1.E-8

ENCUT=500.

#ionic steps
NSW = 0

LSORBIT=.TRUE.

AMIX = 0.2
BMIX = 0.00001
AMIX_MAG = 0.8
BMIX_MAG = 0.00001

LORBIT = 12

NPAR = 2

ISYM=0

ICHARG=11
----------------


PROCAR:
----------------
PROCAR lm decomposed + phase
~

please check: for the moment, the number of cores you use must not be larger than the number of atoms in the cell. We'll fix this (probably included in the next sub-release of vasp.5.3)
[ Edited Tue Sep 03 2013, 01:15PM ]

Dear Admin,
thanks. But regretfully neither one core (12 atoms) solved the problem. Is there another way (maybe from OUTCAR) to know the orbital population of these SOC calculations?
Thanks a lot,
Giacomo