[Pw_forum] KGEC

[Paolo Giannozzi]

People interested in transport properties may find interesting the
following piece of information from Lazaro Calderin, U. Florida:
---
We just published this paper
http://www.sciencedirect.com/science/article/pii/
S0010465517302539?via%3Dihub
which is on a review of the Kubo-Greenwood approach, PAWs and its
implementation for Quantum Espresso.

The resulting code is named KGEC and has a number of unique advantages
ranging from calculation of DC components via analytical formulas to full
parallelization respect to k-points, plane-waves and bands with recovery of
cores for plane-waves on the flight to be used in band parallelization [...]
The code is at http://www.qtp.ufl.edu/ofdft/research/computation.shtml
---
Paolo
--
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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