PW-DFT

Sample DFT code for the lecture "Numerical Algebra for Materials Science"
based on the plane wave and pseudopotential.

Bulk-derived local pseudopotentials (BLPSs)
https://carter.princeton.edu/research/local-pseudopotentials/
https://github.com/PrincetonUniversity/BLPSLibrary
by Carter group are employed.

# Contents

* src/ : Source code directory
* sample/ : Sample input file
* doc/ : Input for Doxygen

# Compile

For GCC in Linux
$ cp make.inc.in make.in
$ make

For GCC in macos
$ cp make.inc.mac make.in
$ make

# Source browser

http://mitsuaki1987.github.io/pwdft/index.html