Hi?wien2ker
I am interesting in aim and I have search many suggestions in Wien mailing
list. But many questions still puzzle me.
1) How to expand the LM to 8 or 10 in case.in2? only by hand? it is simple for
serval atoms but the cell with 20 atoms...
2) when I expand LM to 10, I got an lapw1.error:
ATPAR - Error
> 'ATPAR' - more than NGAU gaunts
> 'ATPAR' - NGAU, L0, LP, LL, M, MP, MM
> 'ATPAR' - 2350, 4, 4, 4, -1, 3, -4,
even I change the NGAU in param.inc and modules.F ! why?
Do I need to recompile wien2k?
Any suggestion is goog for me. Thanks!
--------------
Long-Hua Li
2008-10-16
