[Pw_forum] Machinery behind QE pw computation

Sitangshu Bhattacharya sitangshu at iiita.ac.in
Wed Mar 22 16:50:14 CET 2017


Dear Sir,

I want to understand the background mathematics/solving process of QE, for
example, how QE solves a simple vc-relax with a simplest atom when I change
one pseudopotential type to another?.
Or how it transforms the Schrodinger's and Poisson's equation into set of
linear algebra?
Can you suggest me which file I should be looking into?


With regards
**********************************************
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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