[Wien] SCF 1st cycle keeps on running at LAPW2 and doesn't go further

[Laurence Marks]

Are you using mpi versions ? (Spelling correction)

---------------------------
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu 1-847-491-3996
"Research is to see what everybody else has seen, and to think what nobody
else has thought"
Albert Szent-Gyorgi
 On Mar 20, 2012 5:33 AM, "Laurence Marks" <L-marks at northwestern.edu> wrote:

> Are youbusibg mpi versions?
>
> ---------------------------
> Professor Laurence Marks
> Department of Materials Science and Engineering
> Northwestern University
> www.numis.northwestern.edu 1-847-491-3996
> "Research is to see what everybody else has seen, and to think what nobody
> else has thought"
> Albert Szent-Gyorgi
>  On Mar 20, 2012 3:40 AM, "Masood Yousaf" <masoodyousaf1 at yahoo.com> wrote:
>
>> Respected wien2k users
>>
>> I am facing an unsual problem while running different oxides material on
>> wien2k with MBJ. But some of the oxides do not go further from LAPW2
>> -VRESP. It keeps on running but the process never ends . Similar oxides
>> with similar structure are successfully executed with MBJ .I tried to
>> adjust the different parameters but the first SCF cycle with MBJ keeps on
>> running at LAPW2 . Can anyone Please help me and guide me what should I do
>> to resolve this problem .
>>
>> Very hopeful that someone will come out with a solution to my problem
>>
>>
>> _______________________________________________
>> Wien mailing list
>> Wien at zeus.theochem.tuwien.ac.at
>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>>
>>
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