[Wien] Wien 2K Startup

[Hongjun Xiang]

Hi, Malik,
Please take a look at case.dayfile and :log files,
you will know the commands to run wien2k in sequence.
The case name has no special meaning.

Best regards,
Hongjun Xiang

=============================================================
 H. J. Xiang
 Postdoctoral Research Assistant
 Department of Chemistry
 North Carolina State University
 Raleigh, NC 27695-8204
 Tel: 001-919-515-8919 
 http://www4.ncsu.edu/~hxiang/
=============================================================


Malik wrote:
> Hi all,
>
> I have run the init_lapw and run_lapw successfully and got all the 
> output files as specified in the Chapter 4 of the user Guide.
> Can some one help me with the exact commands which are executed by these 
> scripts for doing all the calculations?
>
> I will really appreciate if i could get a list of commands and 
> parameters which i should run in an empty case directory to get the same 
> effect as i do with the init and run scripts. provided that i have the 
> case.struct file already there.
>
> And also i need help with the 'case name' should it be name in a special 
> nomenclature ( as a chemical formula) or what ??
>
> [I am Sorry if my question seems very basic, but i need to figure out 
> the low level details of the all wien2k execution stuff]
>
> many thanks and best regards,
>
> Malik.
>
>
>
>
>
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