How to generat random displacement patterns from AIMD #133
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Dear Tadano,
I want to extract high-order FCs by using compressive sensing approach, to reduce the computational cost. The tutorial (ALAMODE_handson2022.pdf) tells that I should displace all atoms in the supercell randomly. But I do not know how to perform it. In your papers (PHYSICAL REVIEW MATERIALS 3, 033601 (2019), PHYSICAL REVIEW B 105, 064112 (2022)), I find it can be obtaind by generating random displacement patterns from AIMD.
Can you teach me detailed? Thanks very much!
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