[Wien] Simple Question

[Stefaan Cottenier]

>   Thanks I tried it with only 500 k It is the
> same(.jpg is attached)it seems the message didn't get
> through needs approval.

It didn't get through.

> actually my problem  is in page 52 it says
> (bcc-Fe,spin up) I am not sure now this  calculation
> (Should one run run_lapw  or runsp_lapw)

Ah, indeed, now I see that it is indeed mentioned on page 52 that this is
for bcc-Fe-up (in contrast to the DOS on page 27, where nonmagnetic bcc-Fe
is used). For spin-polarized calculations, you need runsp_lapw, indeed (see
UG).

Stefaan