[QE-users] How to decide value of TDDFPT variables

犬飼 学 inukai.manabu at nitech.ac.jp
Mon Nov 26 02:17:37 CET 2018

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

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