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atompaw

4.2.0.3_3

Tool for projector augmented wave functions for molecular simulations

atompaw is a tool to generate projector and basis functions needed for performing electronic structure calculations based on the projector augmented wave (PAW) method. PAW method is based on the publication http://www.sciencedirect.com/science/article/pii/S0370157300000077

Origin: science/atompaw
Category: science
Size: 15.9MiB
License: GPLv3
Maintainer: yuri@FreeBSD.org
Dependencies: 4 packages
Required by: 1 packages
Website: users.wfu.edu/natalie/papers/pwpaw
$pkg install atompaw

Dependencies (4)

libxclapackgcc14blas

Required By (1 packages)

abinit

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