[Wien] error in GGA+U calculation for 2D structure

[Gavin Abo]

It looks like natorb in the inorb file should be 6, but it is 2.

On 6/16/2015 10:24 PM, vishal jain wrote:
> Dear All,
>
> i found error during GGA+U Calculation for 2D structure of 
> Co2CrAl/GaAs.Struct, orb and indmc files attached here. What is the 
> needed procedure for GGA +U calculation for 2D structure? is same as bulk.
>
> >   stop error
>
> lapw1c             0000000000403F79  Unknown               Unknown  Unknown
> libc.so.6          00002B1CF5544EC5  Unknown               Unknown  Unknown
> lapw1c             000000000040406E  Unknown               Unknown  Unknown
> lapw1c             00000000004421C0  MAIN__                     42  lapw1_tmp_.F
> lapw1c             00000000004418B1  inilpw_                   280  inilpw.f
> lapw1c             00000000004B1194  Unknown               Unknown  Unknown
> lapw1c             00000000004B2F91  Unknown               Unknown  Unknown
> lapw1c             0000000000484A73  Unknown               Unknown  Unknown
> Image              PC                Routine            Line        Source
> forrtl: severe (59): list-directed I/O syntax error, unit 7, file /home/vishal/WIEN2k/Co2CrAlGaAs111LDAU/Co2CrAlGaAs111LDAU.vorbup
>   ORB   END
>   ORB   END
>   LAPW0 END
> hup: Command not found.
> in cycle 2    ETEST: 0   CTEST: 0
>   MIXER END
>   CORE  END
>   CORE  END
> LAPWDM END
> LAPWDM END
>   LAPW2 END
>   LAPW2 END
>   LAPW1 END
>   LAPW1 END
>   LAPW0 END
> hup: Command not found.