Re: [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 
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 > > 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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>>
>>
>>
>>
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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: 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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Re: [Wien] SOC DOS Error

[Peter Blaha]

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 > 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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--

  P.Blaha
--
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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Re: [Wien] SOC DOS Error

[Paresh Chandra Rout]

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  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
>
>
> ___
> 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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[Wien] SOC DOS Error

[Paresh Chandra Rout]

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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Re: [Wien] SOC DOS Error

[Gavin Abo]

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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