[Wien] :WAR : LOPW-exhausted for atom ...

[Luis Ogando]

   Dear Prof. Blaha,

   Thank you very much !
   All the best,
              Luis



2016-06-09 10:07 GMT-03:00 Peter Blaha <pblaha at theochem.tuwien.ac.at>:

> This is no problem.
>
>
> Am 06.06.2016 um 16:16 schrieb Luis Ogando:
>
>> Dear Wien2k community,
>>
>>    I am trying to optimize a cubic structure with MSR1a and I am getting
>> the following message in practically all the SCF cycles.
>>
>> :WAR   : LOPW-exhausted for atom   11 PASS 1  had to reduce check 0.010000
>>
>>    After checking it in the mailing list and noticing that the PASS is
>> always 1 and that "check" is always reduced to 0.01, I believe that it
>> is not a serious problem. Anyway, I would like to be sure. Can anyone
>> confirm this to me ?
>>    Please, do not hesitate in asking me more information.
>>    Thanks in advance,
>>                       Luis
>>
>>
>>
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>>
>>
> --
> --------------------------------------------------------------------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
> Email: blaha at theochem.tuwien.ac.at    WIEN2k: http://www.wien2k.at
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