[Wien] lapw2-error with wien2k_03
mengqiu cai
caimengqiu at yahoo.com.cn
Tue Jun 24 08:10:40 CEST 2003
>a) During a "regular" scf run, the subroutine outp.f is called ONLY
>when
>large QTL-B values (and hence most likely "ghostbands") are present.
>b) What is in TiO2.help032 at line 1565 ???
>c) case.in2 is NOT compatible between WIEN2k_02 and WIEN2k_03. Its
>FORMAT has
>changed!!! Thus you cannot run with identical inputs these two program
>versions !!!!
>Regards
> P.Blaha
Dear P.Blaha:
Thank you for your help. I have solved my problem. It is because the conflict of the two different version of wien2k_02 and wien2k_03 in the same couputer.
sincerely yours
MQ Cai
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