[Pw_forum] K-points implemented in TDDFPT?

[Huang, Jingsong]

Dear all,

Didn't see a forum for TDDFPT so I can only ask my question here at PWSCF forum.

A couple of threads in April 2011 mentioned that TDDFPT worked only for Gamma point. That's the case with earlier version of Quantum Espresso. Just wondering if the k-points algorithm has been implemented in the TDDFPT that is interfaced with the latest Quantum Espresso 5.0? The lr_readin.f90 shows a comment that "K-points implemented but still unsupported (use at your own risk!)". However, if k-point is used, the calculation stops right away with an iosys error message: k-point algorithm is not tested yet. I would like to calculate UV-vis for an extended system. Any suggestions? Thanks a lot.

Regards,

Jingsong

-------------------------
Jingsong Huang
Oak Ridge National Laboratory
CNMS, Bldg. 8610
Oak Ridge, TN 37831-6493
(865)576-3991 (O); 574-1753 (F)
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