Input and output files for study of use of Trail-Needs pseudopotentials in quantum Monte Carlo calculations.
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下载链接：
https://research.lancaster-university.uk/en/datasets/e8e67641-0610-4caf-bf10-560c2702dfef
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资源简介：
Gzipped tar file PSP_tests.tar.gz holding CASINO input and output files
for study of use of Trail-Needs pseudopotentials in quantum Monte Carlo
calculations. Gzipped tar file Gauss_DFT.tar.gz holding Molpro input and
output files for study of use of Trail-Needs pseudopotentials in quantum
Monte Carlo calculations.
提供机构：
Lancaster University
创建时间：
2016-10-20
