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geometry optimize section
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Topic: geometry optimize section (Read 3730 times)
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Resear20
Regular QuantumATK user
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geometry optimize section
«
on:
November 24, 2020, 09:14 »
Dear Users
Could explain me the meaning of
Fix lattice vectors,
fix bravais lattice type and
fix volume
thank you
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mlee
QuantumATK Guru
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Re: geometry optimize section
«
Reply #1 on:
November 24, 2020, 12:39 »
Please search in
https://docs.quantumatk.com/
BravaisLatticeConstraint
https://docs.quantumatk.com/manual/Types/BravaisLatticeConstraint/BravaisLatticeConstraint.html
Bravais lattice
https://docs.quantumatk.com/manual/includes/BravaisLattices.html#bravaislattices
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