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ab initio molecular dynamics simulation for structural stability
Date: 2024/09/24 12:07
Name: Vipin Kumar

Dear OpenMX developers,

I have the following basic questions as a new learner of the OpenMX DFT code:

Is it possible to calculate the following using the ab initio molecular dynamics simulation in the OpenMX:
1. Fig. 2(e) in  https://doi.org/10.1039/D0TC03062G
2. Figs 12 and 13 in https://doi.org/10.1016/j.oregeorev.2023.105699
3. Fig. 1(d, e) in https://doi.org/10.1002/aenm.201900664


Your support will be highly appreciated.

Regards,
Vipin
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