[Wien] problem with running TB-MBJ for band gaps.

yedu kondalu nykondalu at gmail.com
Wed Jan 19 12:20:03 CET 2011


Dear all ..

This is Yedukondalu

I tried to run TB-MBJ code for insulators to get band gap more accurately.
But Iam getting the following error, Can u pls correct me ?????

hup: Command not found.
Invalid null command.
STOP  LAPW0 END
Invalid null command.
At line 1653 of file lapw0.F (unit = 11, file = 'BaF2.r2v')
Fortran runtime error: Constant string in input format
(1X,"        ",I10)
             ^

>   stop error

Thank you
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