Examples: add some useful script for IRaman #55
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Some scripts to submit IRamanSpectraWorkChain are added to illustrate further how to use the workchain in common context. For instance, how to set custom pseudo-potential families, or custom k-points, till the full input specification via the overrides.
bastonero
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Feb 22, 2024
Some scripts to submit IRamanSpectraWorkChain are added to illustrate further how to use the workchain in common context. For instance, how to set custom pseudo-potential families, or custom k-points, till the full input specification via the overrides.
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Some scripts to submit IRamanSpectraWorkChain are added to illustrate further how to use the workchain in common context. For instance, how to set custom pseudo-potential families, or custom k-points, till the full input specification via the overrides.