[Wien] hup: command not found and invalid command

kevin chester chester2k14 at gmail.com
Sat Aug 2 04:34:41 CEST 2014


Good day Sir

I have a problem on my wien2k_10. I have successfully installed it on
Ubuntu 12.04 LTS. During the compilation there was no error shown. But if
run a calculation (e.g x nn and the x sgroup) it shows result and Invalid
null command. Also when running the SCF, it shows hup command not found

Invalid null command.
 specify nn-bondlength factor: (usually=2) [and optionally dlimit (about 1.d-5)]
 DSTMAX:   20.0000000000000

    ATOM  1  Ti         ATOM  2  C
 RMT(  1)=2.09000 AND RMT(  2)=1.85000
 SUMS TO 3.94000  LT.  NN-DIST= 4.08937

    ATOM  2  C          ATOM  1  Ti
 RMT(  2)=1.85000 AND RMT(  1)=2.09000
 SUMS TO 3.94000  LT.  NN-DIST= 4.08937
NN ENDS
0.0u 0.0s 0:00.00 0.0% 0+0k 0+32io 0pf+0w

#using the x sgroup

Commandline: *x sgroup*

Program input is: *""*



Invalid null command.
0.0u 0.0s 0:00.00 0.0% 0+0k 0+8io 0pf+0w




#also in the SCF cycle

hup: Command not found.
Invalid null command.
 LAPW0 END
Invalid null command.
 LAPW1 END
Invalid null command.
 LAPW2 END
Invalid null command.
 CORE  END
Invalid null command.
 MIXER END
ec cc and fc_conv 0 0 1
in cycle 2    ETEST: .1630659300000000   CTEST: .9223692
hup: Command not found.
Invalid null command.
 LAPW0 END
Invalid null command.
 LAPW1 END
Invalid null command.
 LAPW2 END
Invalid null command.
 CORE  END
Invalid null command.
 MIXER END
ec cc and fc_conv 0 1 1
in cycle 3    ETEST: .0815329700000000   CTEST: -.0004331
hup: Command not found.
Invalid null command.
 LAPW0 END
Invalid null command.
 LAPW1 END
Invalid null command.
 LAPW2 END
Invalid null command.
 CORE  END
Invalid null command.
 MIXER END
ec cc and fc_conv 0 1 1
in cycle 4    ETEST: .0815509450000000   CTEST: -.0004820
hup: Command not found.
Invalid null command.
 LAPW0 END
Invalid null command.
 LAPW1 END
Invalid null command.
 LAPW2 END
Invalid null command.
 CORE  END
Invalid null command.
 MIXER END
ec cc and fc_conv 1 1 1

>   stop
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