[Wien] SOC DOS Error

[Paresh Chandra Rout]

Thank you sir. I have not followed that step. I will do it and write you
back .

On Tue, Sep 29, 2015 at 12:00 PM, Peter Blaha <pblaha at theochem.tuwien.ac.at>
wrote:

> After lapw1  and BEFORE lapw2 you need:
>
> x lapwso -up -p
>
> On 09/29/2015 06:30 AM, Paresh Chandra Rout wrote:
>
>> First of all thank you very much sir for replying me  . I have run lapw1
>> -up -p and  lapw1 -dn -p before entering into the lapw2  as you per your
>> suggestion in archive. Still I am facing the same problem . But I would
>> like to let you know that
>> I have run x *lapw1 -up -p *and**x*lapw1 -dn -p *through job script
>> first then enter into the lapw2 .
>> Kindly help me sir.
>>
>> Kind regards
>> Paresh
>>
>> On Tue, Sep 29, 2015 at 4:24 AM, Gavin Abo <gsabo at crimson.ua.edu
>> <mailto:gsabo at crimson.ua.edu>> wrote:
>>
>>     Did you run the lapw1 steps before that [
>>
>> http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg11340.html
>>     ]?
>>
>>
>>     On 9/28/2015 8:01 AM, Paresh Chandra Rout wrote:
>>
>>>     Dear all,
>>>     While doing *DOS* calculation in *spin-orbit  coupling *case, I
>>>     encounter with an error with message
>>>     running LAPW2 in parallel mode
>>>     *calculating QTL's from parallel vectors*
>>>     *FERMI - Error*
>>>     0.201u 0.051s 0:00.39 64.1%0+0k 0+8io 0pf+0w
>>>
>>>     I ran all the command prompt  systematically but for
>>>     *x lapw2 -p -up -so -qtl * case I am face the above error.
>>>
>>>
>>>     Is there any mistake that I am making or am I missing something ?
>>>     Kindly give me some suggestion .
>>>
>>>     Thanking you in advance !
>>>
>>>     Kind Regards
>>>     Paresh Chandra Rout
>>>     Research Scholar
>>>     Indian Institute of Science Education and Reseach Bhopal
>>>
>>
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>>
>>
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> --
>
>                                       P.Blaha
> --------------------------------------------------------------------------
> 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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