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 <[email protected]
<mailto:[email protected]>> 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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