[Wien] if: Expression Syntax(-eece)

[Peter Blaha]

Please study the input description!!!

You have natom = 2, but only one line with atom # 17 !!

yxl at email.jlu.edu.cn schrieb:
> Dear users,
>   I want to do calculatins about  eece, but encountered a question, i searched the mailing-list,
> but there is nothing about it.
>   My case.ineece file is 
> -9.0  2       emin natom
> 17 1 2         iatom nlorb lorb
> HYBR          HYBR / EECE mode
> 0.25          amount of exact exchange
> 
> In userguide it says the flag -eece can creat the additional files, so I didn't set those files.
> When i run: runsp_lapw -eece -p -cc 0.001 -ec 0.0001