[Wien] NEC01 charge leakage too large + adding info

[Changhoon Lee]

Hi, this is Changhoon Lee.

I am simulating the TiC in the tutorial, but an error occurs in the scf
calculation.

I sent my structure to a professor in another lab and simulated it, and he
said it worked normally. (k-point = 500)
So I think this problem is due to external factors such as
installation/computer.

I am also attaching the file to show that there is no problem with my
rescue file.
I can't proceed further with the simulation because I'm stuck in the basics.
Is it right to reinstall?

Best regards
Changhoon Lee


>   stop error

ERROR: NEC01 charge leakage too large
 CORE  END
 LAPW2 END
 LAPW1 END
 LAPW0 END


TiC
F   LATTICE,NONEQUIV.ATOMS:  2
MODE OF CALC=RELA unit=ang
  8.178738  8.178738  8.178738 90.000000 90.000000 90.000000
ATOM   1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 2
Ti         NPT=  781  R0=0.00005000 RMT=    2.1900   Z: 22.000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM   2: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 2
C          NPT=  781  R0=0.00010000 RMT=    1.7900   Z:  6.000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
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