[Wien] lapw1 and missing vector file

[Torsten Andersen]

Your $SCRATCH environment variable is set to "workdir". That's what... 
change it to your real scratch directory. You probably don't want your 
vector files in the main file system.

Best regards,
Torsten Andersen.

Michael Gurnett wrote:
> Iäm getting an error in the first run of an scf cycle as soon as the 
> program gets to lapws1. It is
>  
> 'INILPW' - can't open unit: 
> 10                                               
>  'INILPW' -        filename: 
> workdir/Li_Ge3x1_smallergap.vector               
>  'INILPW' -          status: unknown      form: 
> unformatted                   
>  'LAPW1' - INILPW aborted unsuccessfully.
>  
>  
> I thought lapw1 was meant to generate the vector file, so why is it 
> looking for it I looked in the lapw1.def file which looks like
>  
>  4,'Li_Ge3x1_smallergap.klist',          'unknown','formatted',0
>  5,'Li_Ge3x1_smallergap.in1c',   'old',    'formatted',0
>  6,'Li_Ge3x1_smallergap.output1','unknown','formatted',0
> 10,'workdir/Li_Ge3x1_smallergap.vector', 'unknown','unformatted',9000
> 11,'Li_Ge3x1_smallergap.energy', 'unknown','formatted',0
> 18,'Li_Ge3x1_smallergap.vsp',       'old',    'formatted',0
> 19,'Li_Ge3x1_smallergap.vns',       'unknown','formatted',0
> 20,'Li_Ge3x1_smallergap.struct',         'old',    'formatted',0
> 21,'Li_Ge3x1_smallergap.scf1',   'unknown','formatted',0
> 55,'Li_Ge3x1_smallergap.vec',            'unknown','formatted',0
> 71,'Li_Ge3x1_smallergap.nsh',    'unknown','formatted',0
> 97,'workdir/Li_Ge3x1_smallergap.nohns', 'unknown','formatted',9000
>  
> Why do 10 and 97 have workdir/ in the beginning.
>  
> Can anyone explain this problem to me
>  
> Thanks
>  
> Michael
>  
>  

-- 
Dr. Torsten Andersen                     TA-web: http://deep.at/myspace/
AG Hübner, Department of Physics, Kaiserslautern University, and
Condensed Matter Theory Group, Department of Physics, Uppsala University
Web: http://www.fysik4.fysik.uu.se/         http://www.physik.uni-kl.de/