[Pw_forum] (no subject)

[Seyed Javad Hashemifar]

I also think that if you take care of your energy cutoffs it may be
possible to use both norm-conserving and ultrasoft pseudo-potentials in one
calculation. But it is strange why do you insist to do that. Because in the
pseudo-potential library of Quantum-Espresso there are several ultrasoft
pseudo-potentials of carbon with various exchange-correlations. Hence why
you do not use an ultrasoft pseudo-potential for carbon element.

Regards
======================================
Seyed Javad  Hashemifar
Department of Physics, Isfahan University of Technology
84156-83111 Isfahan, Iran
Tel: +98 311 391 2375     Fax:+98 311 3912376
Email:  hashemifar at cc.iut.ac.ir
Group Homepage:      http://cmsgroup.iut.ac.ir
Personal Homepage:  http://hashemifar.iut.ac.ir
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On Sun, Jan 27, 2013 at 10:22 AM, mohnish pandey <mohnish.iitk at gmail.com>wrote:

> Yea you can mix USPP with NC. See the FAQ
> http://www.quantum-espresso.org/?page_id=356#2.3
>
> On Sun, Jan 27, 2013 at 12:56 PM, Banafshe Noori <b_noori88 at yahoo.com>wrote:
>
>> Hi
>>
>> I am using with LDA approximation . the pesduopotential of normconserving
>> for carbon is applied.
>>
>> can i  use a potential of type ultrasoft for a doped element for example
>> (Cd).
>>
>>
>>
>>
>>
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>
>
> --
> Regards,
> MOHNISH,
> -----------------------------------------------------------------
> Mohnish Pandey,
> PhD Student,
> Center for Atomic Scale Materials Design,
> Department of Physics,
> Technical University of Denmark
> -----------------------------------------------------------------
>
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