use of K and KPRIME in getghc
Posted: Wed Dec 06, 2017 3:23 pm
Hi,
I notice that in getghc, m_hamiltonian, etc there is now code for application of H between different K points (K_H_K, KPRIME_H_K, etc). I'm not quite clear how and where this is being used in the code. Is it part of Hartree-Fock (the Fock operator)? Is it coded also for PAW? (doesn't seem to be).
thanks,
Joe
I notice that in getghc, m_hamiltonian, etc there is now code for application of H between different K points (K_H_K, KPRIME_H_K, etc). I'm not quite clear how and where this is being used in the code. Is it part of Hartree-Fock (the Fock operator)? Is it coded also for PAW? (doesn't seem to be).
thanks,
Joe