[Wien] NN error

Muhammad Sajjad sajjadpu at gmail.com
Sat Dec 21 18:33:17 CET 2013


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, <tran at 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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