<div dir="ltr">Dear Tran,<div>Thank you so much. It is working now.</div></div><div class="gmail_extra"><br><br><div class="gmail_quote">On Sat, Dec 21, 2013 at 11:30 PM, <span dir="ltr"><<a href="mailto:tran@theochem.tuwien.ac.at" target="_blank">tran@theochem.tuwien.ac.at</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">At the beginning of the initiatlization (init_lapw) you are asked to<br>
enter a reduction in %. Choose a larger value than you did before.<br>
<br>
More informations here:<br>
<a href="http://www.wien2k.at/reg_user/textbooks/usersguide.pdf" target="_blank">http://www.wien2k.at/reg_user/<u></u>textbooks/usersguide.pdf</a><div class="HOEnZb"><div class="h5"><br>
<br>
On Sat, 21 Dec 2013, Muhammad Sajjad wrote:<br>
<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Dear Tran,<br>
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?<br>
<br>
<br>
True Regards<br>
Sajjad<br>
<br>
<br>
On Sat, Dec 21, 2013 at 10:16 PM, <<a href="mailto:tran@theochem.tuwien.ac.at" target="_blank">tran@theochem.tuwien.ac.at</a>> wrote:<br>
This is because the atomic spheres overlap. So, you have to choose smaller<br>
spheres radii.<br>
<br>
On Sun, 22 Dec 2013, Muhammad Sajjad wrote:<br>
<br>
Dear all<br>
I am running optimization with wien2k 12 version. I am facing the following error<br>
<br>
<br>
ERROR status in OPTF123_vol__-5.0<br>
> stop error<br>
<br>
NN - Error<br>
LAPW0 Kindlyhelp me to solve this propblem.<br>
<br>
Kind Regards<br>
<br>
<br>
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