[Pw_forum] [<MASS MAIL>]Re: scf run error

[Mr. Sushant Kumar Behera]

Thank you Lorenzo and all for their kind response.
Now I got the error where I have done it. Now it is corrected and
successfully run job.

Thank you all.

sushant


> Dear Sushant,
> all the pseudopotential you use must be built with the same density
> functional
> (pw91, pz, pbe, blyp, etc). The functional is written at the beginning of
> the
> pseudopotential file, and usually it is also part of the file name
>
> --
> Dr. Lorenzo Paulatto
> IdR @ IMPMC -- CNRS & Université Paris 6
> +33 (0)1 44 275 084 / skype: paulatz
> http://www.impmc.upmc.fr/~paulatto/
> 23-24/4é16 Boîte courrier 115
> 4 place Jussieu 75252 Paris Cédex 05
>
>
> _______________________________________________
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>


-- 
With Warm Regards

Sushant Kumar Behera
INSPIRE Fellow
Advanced Functional Material Laboratory
Deaprtment of Physics
Tezpur University
Tezpur, India 784028
email: sushant at tezu.ernet.in
Phone: +91-3712-275578 (Lab)
Cell:  +91-8473848729  (Mob)
http://www.tezu.ernet.in/dphy/afml/index.php


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