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

2016-06-09 Thread Luis Ogando
   Dear Prof. Blaha,

   Thank you very much !
   All the best,
  Luis



2016-06-09 10:07 GMT-03:00 Peter Blaha :

> 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 0.01
>>
>>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
>>
>>
>>
>> ___
>> Wien mailing list
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>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>> SEARCH the MAILING-LIST at:
>> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
>>
>>
> --
> --
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-165300 FAX: +43-1-58801-165982
> Email: bl...@theochem.tuwien.ac.atWIEN2k: http://www.wien2k.at
> WWW:   http://www.imc.tuwien.ac.at/staff/tc_group_e.php
> --
> ___
> Wien mailing list
> Wien@zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:
> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
>
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Re: [Wien] :WAR : LOPW-exhausted for atom ...

2016-06-09 Thread Peter Blaha

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 0.01

   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



___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html



--
--
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300 FAX: +43-1-58801-165982
Email: bl...@theochem.tuwien.ac.atWIEN2k: http://www.wien2k.at
WWW:   http://www.imc.tuwien.ac.at/staff/tc_group_e.php
--
___
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http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html


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

2016-06-09 Thread 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 0.01

   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
___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html