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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