遇见数据集

SUGGESTED PSEUDOPOTENTIALS for PBEsol v.1.0.0

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NIAID Data Ecosystem2026-05-02 收录
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资源简介:

This is pslibrary ver.1.0.0 based on "SUGGESTED PSEUDOPOTENTIALS". Pseudopotentials were generated with q-e-qe-6.3. Pseudopotentials for versions other than pslibrary ver.1.0.0 were obtained from THEOS pbesol.0.3.1.tgz and Quantum espresso pseudopotentials (pslibrary). The json data was constructed based on Standard solid-state pseudopotentials (SSSP).

创建时间:
2025-02-23
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