At the beginning of the initiatlization (init_lapw) you are asked to
enter a reduction in %. Choose a larger value than you did before.
More informations here:
http://www.wien2k.at/reg_user/textbooks/usersguide.pdf
On Sat, 21 Dec 2013, Muhammad Sajjad wrote:
Dear Tran,
Thank you so much for your kind response. Please let me know in which file i
can do the mentioned job? I mean how can i choose smaller spheres readii?
True Regards
Sajjad
On Sat, Dec 21, 2013 at 10:16 PM, <t...@theochem.tuwien.ac.at> wrote:
This is because the atomic spheres overlap. So, you have to choose smaller
spheres radii.
On Sun, 22 Dec 2013, Muhammad Sajjad wrote:
Dear all
I am running optimization with wien2k 12 version. I am facing the
following error
ERROR status in OPTF123_vol__-5.0
> stop error
NN - Error
LAPW0 Kindlyhelp me to solve this propblem.
Kind Regards
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