[Wien] SOC DOS Error

Paresh Chandra Rout pareshchandra at iiserb.ac.in
Tue Sep 29 06:30:24 CEST 2015


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> 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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