pwscf.KP
kpoints, which format is same with siesta.KP
.
Buffer for simulation and restart
pwscf.tdksN, N=0,Number of processors
the time-dependent Kohn-Sham (TDKS) state \(\psi_{\gamma \mathbf{k} }( \mathbf{G},t)\)pwscf.wfc0N, N=0,Number of processors
the adiabatic basis \(\{ \phi_{i\mathbf{k}}(\mathbf{G},t=0) \}\)pwscf.wfcpN, N=0,Number of processors
the adiabatic basis \(\{ \phi_{i\mathbf{k}}(\mathbf{G},t_1) \}\)