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- Tue Jun 11, 2019 7:32 pm
- Forum: Ground state
- Topic: Non-orthogonal Constrained Lattice Optimization
- Replies: 0
- Views: 2817
Non-orthogonal Constrained Lattice Optimization
Dear abinit community, A colleague and I are working on a project in which we are trying to calculate total energy curves as a function of c lattice constant (letting the other two relax). From the user manual, we know that for orthorhombic cells this can be done using the "optcell = 9". H...