[Pw_forum] Relaxation of coordinates in TDDFT

Andreas Röckert Andreas.Rockert.7205 at student.uu.se
Wed Dec 21 20:24:24 CET 2016

Hi All,

I have used TDDFT in Quantum espresso to estimate the charge density
response, however i need to relax my atomic coordinates in excited state
(i.e in the presence of time dependent fields).
I was wondering if TDDFPT or any other package of Quantum espresso is able
to do that?
Do you have any suggestions for me?


Chemistry department
Uppsala university
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