[Wien] Warning in total Energy

[strutza at bgumail.bgu.ac.il]

  Hello Marco!
> 
> I checked case.scf and here is ":WARN" messages, after some iterations I get this WARNINGS:   
> 
> NUMBER OF K-POINTS: 1
> :WARN :      WARNING: RKmax reduced due to NMATMAX
> :GMA  : POTENTIAL AND CHARGE CUT-OFF  14.00 Ry**.5
> :WARN : RESULT OF INTEGRATION:  674.00000; SHOULD BE:  675.00000
>         Energy to separate semicore and valencestates:   0.16336
> 
> And some times I get only:
> 
> :WARN :      WARNING: RKmax reduced due to NMATMAX

Regards, Angelica
> 
> 
>