[Wien] Wien 2K Startup

Malik malik at dps.uibk.ac.at
Mon Nov 27 16:20:26 CET 2006


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.







More information about the Wien mailing list