[Wien] (no subject)

[Stefaan Cottenier]

> I have a problem generating the file case.in2_st. I am not using the 
> w2web to run wien2k but only program by program. The manual said that
> the program symmetry needs case.in2_st as an optional file  and
> lstart  
> generates it (see table 4.1 in page 35 of the manual).  
> In my case lstart didnt generate the case.in2_st, but I know that the
> program 
> dstart needs this file (case.in2, which is just a copy of
> case.in2_st). Could 
> any one help generating this file? If it has to be generated by hand
> then it 
> seems to me that the manual should say it, but it doesnt. 

Also if you don't use w2web, you must not run 'program by program'. 
Use the command 'init_lapw' for the initialization, which will take 
you through all the individual programs and will create the files for 
you. (and run_lapw or runsp_lapw for an actual scf-cycle afterwards).

Stefaan