<div dir="ltr"><div><div>Dear wien2k users,<br><br></div>I installed a wien2k version 10 on a Ubuntu 12.04 LTS using Ifort and MKL non-commercial. There was no error during compilation. But during the initialize calculations an invalid null command appears<br>
</div><br><div>#using the x nn<br></div><div><pre>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<br><br></pre><pre>#using the x sgroup<br></pre><pre>Commandline: <b>x sgroup</b><br>
Program input is: <b>""</b>
<br>
<br>
Invalid null command.
0.0u 0.0s 0:00.00 0.0% 0+0k 0+8io 0pf+0w
</pre><pre><br><br></pre>#also in the SCF cycle<br></div><div><pre>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</pre></div></div>