[Wien] case.r2v, case.vtotal, case.vcoul is empty file

Gavin Abo gsabo at crimson.ua.edu
Thu Dec 20 02:51:48 CET 2012


Did you change NR2V to R2V in case.in0?

On 12/19/2012 6:22 PM, liujuan804 at sina.com wrote:
>  Dear Prof. Blaha
> In the wien2k userguide, we are told that the total or 
> exchange-correlation potential file can be generated by lapw0.
> Today I check all results of my calculations (many cases), there are 
> empty in case.vcoul, case.r2v and case. vtotal files.  So I can not 
> use lapw5 to get potential barrier.
> I run x lapw0 and run_lapw -i 1 , but I can not get the effective 
> potential files.
> I am a long-experienced user of wien2k, I don't know what's wrong with 
> it. Could you give me some guidance?
> Best regards,
> Dr LiuJuan
>



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