Dear developers Although I have red *.html in Doc (TDDFPT), I do not understand same variables in detail.
Would you tell me any advices ? ---------- How do I decide 'num_eign', 'num_basis_max' and 'ecutfock' in *.dav-in ? How do I decide 'itermax0' in *.tddfpt_pp-in ? I set number of eigenvalue (<= EF) to p_nbnd_occ and set number of eigenvalue (>= EF) to p_nbnd_virt ? Is it best ? What do absorbtive and dispersive mean in CH4-BOND ? What does 'project' mean in CH4-BOND ? When do I use pseudo_hermitian=.false. -------- Best Regards, M. Inukai _______________________________________________ users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
