[Pw_forum] how PAW should be used?

Javad hashemifar jhashemifar at gmail.com
Wed Dec 12 09:44:25 CET 2007

Dear PWscf developers and users

At the Isfahan University of Technology, it is couple of years that we are
using Quantum-Espresso for electronic structure calculations. So far mainly
we have used ultra soft pseudopotentials to calculate the electronic
structure of surfaces and interfaces.
Now we are interested to use a new feature of this code that is PAW
techniques but unfortunately the available documents and discussions on the
Forum, are not enough to find out the required procedure for using PAW
method. Hence it is highly appreciated if expert users learn us which
programs should be run for using PAW and which input files should be
adjusted .

Thank you in advance
S. Javad Hashemifar
Isfahan University of Technology

On Dec 10, 2007 2:22 PM, Clark Lee <jibiaoli at gmail.com> wrote:

> Dear PWscf users,
> I am very appreciated getting some literature or theoretical background
> about 'l ocal density of electronic entropy'. Thanks again!
> --
> Yours sincerely,
> Clark Lee
> State Key Lab of Corrosion and Protection (SKLCP)
> Institute of Metal Research (IMR)
> Chinese Academy of Sciences (CAS), China
> Phone: 024-23925323
> Email: jibiaoli at imr.ac.cn or jibiaoli at gmail.com
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum

Seyed Javad  Hashemifar,    Ph.D.
Tel:  +98-311-3912375       Fax: +98-311-3912376
Physics Department, Isfahan University of Technology
84156 Isfahan, Iran
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