[Wien] mBJ conflicts with SO?

bruce.tian brucetian8080 at gmail.com
Tue Feb 14 05:05:06 CET 2012


Dear Prof. Blaha:

First I did mBJ calculation there are no errors. Then I did SO calculation
and I got the error:

hup: Command not found.
 LAPW0 END
           0  LAPW0-Error. Check file lapw0.error and case.output0*.
LAPW0 - Error. Check file lapw0.error.

>   stop error

The lapw0.error is as following:

Error in LAPW0
 'LAPW0' - case.grr file not present, which is requred for mBJ

When I open case.grr I found there is only a line of stars. At the
position after mBJ calculation and before SO calculation there is a
number. For GGA+SO calculation there are also
no errors reported. What is the problem.

Thanks!
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