[Wien] mBJ conflicts with SO?

[bruce.tian]

Dear all:

I try to calculate AFMII-type NiO with mBJ potetial including SO. However
mBJ potential seems to conflict with SO.

1. After spin-polarized calculation, give up antiferromagnetic calculation
and do mBJ calculation. Everything is ok. But when I include the SO
case.grr not found are reported. Error message like following:

Error in LAPW0
 'LAPW0' - case.grr file not present, which is requred for mBJ

What is the problem?

2. Alternately I did SO first after spin-polarized calculation without
antiferromagnetic calculation. Then I calculate with mBJ potential. This
time at the step: runsp_lapw -NI -i 1 I got error message like following:

runsp_lapw -NI -i 1
hup: Command not found.
 LAPW0 END
 LAPW1 END
 LAPW1 END
 LAPW2 END
 LAPW2 END
 CORE  END
 CORE  END
 MIXER END
 MIXER END

>   energy in SCF NOT CONVERGED

If one ignore the message and continue calculation in SCF following error
message can be found:

hup: Command not found.
 LAPW0 END
forrtl: severe (64): input conversion error, unit 11, file
/home//lapw/NiO-test4/NiO-test4.r2v
Image              PC        Routine            Line        Source
lapw0              08153AE9  Unknown               Unknown  Unknown
lapw0              08152865  Unknown               Unknown  Unknown
lapw0              0810D621  Unknown               Unknown  Unknown
lapw0              080DBEE6  Unknown               Unknown  Unknown
lapw0              080DB751  Unknown               Unknown  Unknown
lapw0              080F3892  Unknown               Unknown  Unknown
lapw0              080F121E  Unknown               Unknown  Unknown
lapw0              0807D807  MAIN__                   1662  lapw0.F
lapw0              0804A694  Unknown               Unknown  Unknown
libc.so.6          411A4BD6  Unknown               Unknown  Unknown
lapw0              0804A5A1  Unknown               Unknown  Unknown

>   stop error

What is the problem?

In both calculation 100 k-points are used.

Thanks!
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