[Wien] running error after using 100atomfix_lapw

[Stefaan Cottenier]

> I upgraded Wien2k_02 to Wien2k_03 by using 100atomfix_lapw according FAQ.
>
> However, when I run the SCF cycle again, I got an error as followed. How
can I fix this problem?  Any suggestion is welcome. Thank you so much.

I'm not 100% sure, but the '01' in the following line:

> :ITE01:  1. ITERATION

indicate that you are still having left-overs of the old version (there
should be :ITE001 from version 03 on). Do save_lapw, then restore_lapw to a
clean, empty directory, and try again.

By the way, once you are at version 03, upgrade further to 04. It's always
better to use the most recent version.

Stefaan