[gpaw-users] A small question about an example in advanced topics

[Pu ZHANG]

Dear all,

In the example ground state calculation for LR-TDDFT (
https://wiki.fysik.dtu.dk/gpaw/documentation/tddft/linear_response.html#lrtddft),
there is:

# converge also the empty states (the density is converged already)
calc.set(convergence={'bands':8},
         fixdensity=True,
         eigensolver='cg')

The 8 bands are the 8 lowest according to the manual. Then there are still
2 bands (in total 10) not converged. Is that right?

Thanks!
Best regards, Pu Zhang
--
Postdoc
The group of Structured Electromagnetic Materials
Department of Photonics Engineering
Technical University of Denmark
Ørsteds Plads, Building 345v, 166
2800, Kgs. Lyngby
E-mail: puzha at fotonik.dtu.dk
Homepage: http://www.dtu.dk/Service/Telefonbog/Person?id=91944&tab=0
Phone: 45 25 36 43
Fax: 45 93 65 81
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