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 --------------------------------------------------------------------------- -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20071212/35ab5cf8/attachment.htm
