Phonons, DFPT, electron-phonon, electric-field response, mechanical response…
Moderators: mverstra, joaocarloscabreu
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fabienfontaine
- Posts: 3
- Joined: Mon Jan 09, 2012 12:52 pm
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by fabienfontaine » Mon Jan 09, 2012 2:10 pm
Hi,
I would like to know if there is a keyword to specifiy the number of singlet or triplet TDDFT excitation energies since only at most 20 of them are printed
Thanks to the ABINIT community
Fabien Fontaine-Vive
Université de Nice
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mverstra
- Posts: 655
- Joined: Wed Aug 19, 2009 12:01 pm
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by mverstra » Thu May 24, 2012 2:51 pm
looks like you want to change nexcitout in src/79_seqpar_mpi/tddft.F90
Matthieu Verstraete
University of Liege, Belgium