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5:48 AM
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Q: When should "vc-relax" be performed over "relax" calculations in Qunatum ESPRESSO?

Anoop A NairI'm new to Quantum ESPRESSO and I have read that there are several scenarios when relax calculations are preferred over vc-relax calculations, for example in maintaining vacuum while modelling surface. Is there any other scenario wherein I'd probably use vc-relax over relax. Or can I get away wit...

 

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