Thank you Dr. Grant. I am looking into it.
Regards, On Wed, Dec 14, 2016 at 8:59 AM, W2AGZ <w2...@w2agz.com> wrote: > Regarding Nicola's suggestion to map onto a tight binding Hamiltonian as a > starting point relevant parameters derived from a QE calculation and then > randomize for a subsequent quantum Monte Carlo estimate of Anderson > localization, have a look at the this paper > http://w2agz.com/Publications/Science%20&%20Technology/IBM/ > 46%20(1983)%20Bro > ken-Symmetry%20Band%20Structure%20of%20Ditetraethyltetraselenafulva > lene-X%20 > %5b(TMTSF)_2X%5d.pdf . > > Regards, > Paul Grant > W2AGZ Technologies > www.w2agz.com > > -----Original Message----- > From: pw_forum-boun...@pwscf.org [mailto:pw_forum-boun...@pwscf.org] On > Behalf Of Nicola Marzari > Sent: Tuesday, December 13, 2016 9:45 AM > To: PWSCF Forum > Subject: Re: [Pw_forum] Physics of Anderson Localization > > On 13/12/2016 18:39, Sitangshu Bhattacharya wrote: > > Dear QE people, > > > > Is there a way to study Anderson localization in say, 2D systems, using > QE? > > I want to see how the resistance behaves under dominant Anderson > > localization. > > > > Regards, > > > I guess you could map the problem into a tight-binding hamiltonian, decide > how disorder influences that, and diagonalize? > > nicola > > -- > ---------------------------------------------------------------------- > Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL > Director, National Centre for Competence in Research NCCR MARVEL, EPFL > http://theossrv1.epfl.ch/Main/Contact http://nccr-marvel.ch/en/project > _______________________________________________ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > > _______________________________________________ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -- ********************************************** Sitangshu Bhattacharya (সিতাংশু ভট্টাচার্য), Ph.D Assistant Professor, Room No. 2221, CC-1, Nanoscale Electro-Thermal Laboratory, Department of Electrical and Communication Engineering, Indian Institute of Information Technology-Allahabad Uttar Pradesh 211 012 India Telephone: 91-532-2922000 Extn.: 2131 Web-page: http://profile.iiita.ac.in/sitangshu/ Institute: http://www.iiita.ac.in/
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