Contains input/output files for finite difference method based elastic calculations in the JARVIS-DFT.

DataCite Commons2020-08-25 更新150

JARVIS-DFT Finite Difference Elastic Constants (JVASP-1942 to JVASP-4657)

弹性计算

密度泛函理论

Contains input/output files for finite difference method based elastic calculations in the JARVIS-DFT.

Figshare2020-06-08 更新50

计算材料科学

第一性原理模拟

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 THEO

Zenodo2025-06-26 更新20

JARVIS-DFT Finite Difference Elastic Constants (JVASP-8656 to JVASP-9672)

资源简介：

JARVIS-DFT Finite Difference Elastic Constants (JVASP-8656 to JVASP-9672)

资源简介：

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