QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Resear20 on November 24, 2020, 09:14

Title: geometry optimize section
Post by: Resear20 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

Title: Re: geometry optimize section
Post by: mlee 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