Re: [QE-users] Linear Response and TD-DFPT

2021-02-15 Thread Giuseppe Mattioli
Dear Lucas TDDFPT is definitely a linear-response method. If you want to read something, there is plenty of references in this file /path-to-your-QE/TDDFPT/README HTH Giuseppe Quoting Lucas Nicolás Lodeiro Moraga : Hello all, I am introducing myself into the Time Dependent DFT to compute

[QE-users] Linear Response and TD-DFPT

2021-02-14 Thread Lucas Nicolás Lodeiro Moraga
Hello all, I am introducing myself into the Time Dependent DFT to compute UV-Vis spectroscopy. Among the literature, I find that there are two approximations for that, the Linear Response and the Real Time propagation approaches... But, in some codes like CP2K an Quantum ESpresso, the implemented