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How can I optimize lattice constants (celldm) in Quantum espresso? I want to choose the best celldm for my unit cell of two carbon atoms.

gosr
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Sauko
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1 Answers1

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The keyword needed for optimising lattice constants is

calculation='vc-relax'

which should be put inside the &control block. vc stands for variable cell.

FlyingCucumber
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