[Wien] error, end-of-file during read

Laurence Marks L-marks at northwestern.edu
Mon Feb 18 14:02:05 CET 2013


Did you first run with standard PBE, then change case.in_vresp and finally
case.in0?

You should carefully follow the instructions for running mBJ, it is easy to
make a mistake in the sequence. I suspect this is what has happened, not
any problems with compilation/glib etc.

---------------------------
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu 1-847-491-3996
"Research is to see what everybody else has seen, and to think what nobody
else has thought"
Albert Szent-Gyorgi
 On Feb 18, 2013 6:47 AM, "mouhamed mahdi" <mouh2009 at gmail.com> wrote:

>  Dear Wien2k users,
>
> I am running wien version 12 on a machine of type optiplex GX 520 with operating system ubuntu, ifor compiler aaa and math
> libraries mkl
> I am running this case (ZnS.struct)
> Title
> F   LATTICE,NONEQUIV.ATOMS:  2216_F-43m
>
>
> MODE OF CALC=RELA unit=ang
>  10.339263 10.339263 10.339263 90.000000 90.000000 90.000000
> ATOM   1: X=0.25000000 Y=0.25000000 Z=0.25000000
>           MULT= 1          ISPLIT= 2
>
>
> Zn         NPT=  781  R0=0.00005000 RMT=    2.4000   Z: 30.0
> LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
>                      0.0000000 1.0000000 0.0000000
>                      0.0000000 0.0000000 1.0000000
>
>
> ATOM   2: X=0.00000000 Y=0.00000000 Z=0.00000000
>           MULT= 1          ISPLIT= 2
> S          NPT=  781  R0=0.00010000 RMT=    1.9600   Z: 16.0
> LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
>
>
>                      0.0000000 1.0000000 0.0000000
>                      0.0000000 0.0000000 1.0000000
>   24      NUMBER OF SYMMETRY OPERATIONS
>
>
>  using this input (case.in0 using R2V with potential 28 for gap calculation )
>
>
> i have already tried to update glib and upgrade system but stilll the same error
>
> >   stop error
>
> libc.so.6          40AF94D3  Unknown               Unknown  Unknown
> lapw0              0804A371  Unknown               Unknown  Unknown
> lapw0              080812F1  MAIN__                    765  lapw0.F
> lapw0              080E8C17  Unknown               Unknown  Unknown
> lapw0              080D6D5B  Unknown               Unknown  Unknown
> lapw0              080D73D7  Unknown               Unknown  Unknown
> lapw0              08104D3F  Unknown               Unknown  Unknown
> lapw0              081450C5  Unknown               Unknown  Unknown
> lapw0              081462CD  Unknown               Unknown  Unknown
> Image              PC        Routine            Line        Source
> forrtl: severe (24): end-of-file during read, unit 28, file /home/lpat/WIEN2k/zns-g/zns-g.vrespsum
>  LAPW0 END
> hup: Command not found.
>
>
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