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https://github.com/mineralscloud/epaw

A code for evolutionary optimization of PAW datasets especially for high-pressure applications
https://github.com/mineralscloud/epaw

density-functional-theory fortran materials-science paw-datasets python quantum-espresso scientific-computing

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A code for evolutionary optimization of PAW datasets especially for high-pressure applications

Host: GitHub
URL: https://github.com/mineralscloud/epaw
Owner: MineralsCloud
License: gpl-3.0
Created: 2018-07-06T17:32:32.000Z (over 6 years ago)
Default Branch: master
Last Pushed: 2023-08-15T20:12:04.000Z (over 1 year ago)
Last Synced: 2023-08-15T21:39:37.311Z (over 1 year ago)
Topics: density-functional-theory, fortran, materials-science, paw-datasets, python, quantum-espresso, scientific-computing
Language: Fortran
Homepage: https://www.sciencedirect.com/science/article/pii/S0010465518301826
Size: 76.2 KB
Stars: 5
Watchers: 3
Forks: 1
Open Issues: 0