[Wien] mBJ potential

[tran at theochem.tuwien.ac.at]

Most likely the file Ga0.25Al0.75As.grr is empty instead of containing
the value of the average of grad rho/rho. Probably you did not set up
the calculation correctly. And first, I would recommend you to try to
reproduce (e.g., carbon or neon) the MBJ band gaps which are published
[Tran and Blaha, PRL 102, 226401 (2009)] in order to check if you are
running the calculation correctly.

On Tue, 14 Jun 2011, TUX naughty wrote:

> Hello;
> I want to use mBJ potential but I've got this error. What is the problem?
> forrtl: severe (24): end-of-file during read, unit 62, file
> /home/Ga0.25Al0.75As/Ga0.25Al0.75As/Ga0.25Al0.75As.grr
> Image              PC        Routine            Line        Source
> 
> lapw0              0814164D  Unknown               Unknown  Unknown
> lapw0              08140BC5  Unknown               Unknown  Unknown
> lapw0              080FC6C8  Unknown               Unknown  Unknown
> lapw0              080CABCA  Unknown               Unknown  Unknown
> lapw0              080CA4EB  Unknown               Unknown  Unknown
> lapw0              080E38DA  Unknown               Unknown  Unknown
> lapw0              0806FCAB  MAIN__                    213  lapw0.F
> lapw0              0804A6E1  Unknown               Unknown  Unknown
> libc.so.6          40CD0FE0  Unknown               Unknown  Unknown
> lapw0              0804A621  Unknown               Unknown  Unknown
> 
> >   stop error
>