[Wien] Wien 2K Startup

[Torsten Andersen]

Dear Malik,

this is normal. Read the shell-scripts!!!! AND the manual!!! in order to 
find out how to do this correctly. And if you can't decipher the 
shell-scripts, read a book on scripts and one on standard UNIX commands. 
The scf* files are concatenated (in the correct order) into the 
scf-file. The number of sets of scf*-files in the scf file determines 
the number of iterations. Use the _lapw scripts to run the programs 
unless you know what you are doing - otherwise nothing is recorded about 
the iterations.

Best regards,
Torsten Andersen.

Malik wrote:
> Hi all,
> 
> During the run_lapw phase the whole scf cycle is repeated a number of 
> times. how do we calculate the iterations if we perform the process 
> manualy just by calling the binaries.
> After i completed the one iteration of the commands,
> lapw0, lapw1, lapw2, lcore, and mixer
> i got the following scf files  
> -rw-r--r--  1 malik dps    0 Nov 29 13:24 atype.scf
> -rw-r--r--  1 malik dps 5995 Nov 29 13:13 atype.scf0
> -rw-r--r--  1 malik dps 2966 Nov 29 13:23 atype.scf1
> -rw-r--r--  1 malik dps 4251 Nov 29 13:24 atype.scf2
> -rw-r--r--  1 malik dps 1659 Nov 29 13:24 atype.scfc
> -rw-r--r--  1 malik dps 1790 Nov 29 13:26 atype.scfdm
> -rw-r--r--  1 malik dps 1234 Nov 29 13:24 atype.scfm
> -rw-r--r--  1 malik dps  127 Nov 29 13:15 atype.scforb
> 
> You can see the atype.scf file has a size 0 what is the reason for that.
> is it normal or i just missed something.
> 
> many thanks in anticipation.
> 
> best regards,
> 
> Malik
> 
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-- 
Dr. Torsten Andersen        TA-web: http://deep.at/myspace/
AG Hübner, Department of Physics, Kaiserslautern University
http://cmt.physik.uni-kl.de    http://www.physik.uni-kl.de/