Open jtkrogel opened 2 years ago
At least one variational method exists to give exponential convergence for metals:
Direct minimization technique for metals in density functional theory Christoph Freysoldt, Sixten Boeck, and Jörg Neugebauer Phys. Rev. B 79, 241103(R) https://journals.aps.org/prb/abstract/10.1103/PhysRevB.79.241103
An implementation of this algorithm exists currently in JDFTx, which already has an interface to CASINO (Bsplines).
At least one variational method exists to give exponential convergence for metals:
Direct minimization technique for metals in density functional theory Christoph Freysoldt, Sixten Boeck, and Jörg Neugebauer Phys. Rev. B 79, 241103(R) https://journals.aps.org/prb/abstract/10.1103/PhysRevB.79.241103
An implementation of this algorithm exists currently in JDFTx, which already has an interface to CASINO (Bsplines).