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</o:shapelayout></xml><![endif]--></head><body lang=EN-US link=blue vlink=purple><div class=WordSection1><p class=MsoNormal>Dear all,<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>Didn’t see a forum for TDDFPT so I can only ask my question here at PWSCF forum.<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>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.<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>Regards,<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>Jingsong<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal><i><span style='font-size:10.0pt;font-family:"Times New Roman","serif"'>-------------------------</span></i><i><span style='font-size:12.0pt;font-family:"Times New Roman","serif"'><o:p></o:p></span></i></p><p class=MsoNormal><b><i><span style='font-size:10.0pt;font-family:"Times New Roman","serif"'>Jingsong Huang</span></i></b><i><span style='font-size:12.0pt;font-family:"Times New Roman","serif"'><o:p></o:p></span></i></p><p class=MsoNormal><b><i><span style='font-size:10.0pt;font-family:"Times New Roman","serif"'>Oak Ridge National Laboratory</span></i></b><i><span style='font-size:10.0pt;font-family:"Arial","sans-serif"'><o:p></o:p></span></i></p><p class=MsoNormal><b><i><span style='font-size:10.0pt;font-family:"Times New Roman","serif"'>CNMS, Bldg. 8610</span></i></b><i><span style='font-size:10.0pt;font-family:"Times New Roman","serif"'><o:p></o:p></span></i></p><p class=MsoNormal><b><i><span style='font-size:10.0pt;font-family:"Times New Roman","serif"'>Oak Ridge, TN 37831-6493</span></i></b><i><span style='font-size:12.0pt;font-family:"Times New Roman","serif"'><o:p></o:p></span></i></p><p class=MsoNormal><b><i><span style='font-size:10.0pt;font-family:"Times New Roman","serif"'>(865)576-3991 (O); 574-1753 (F)</span></i></b><o:p></o:p></p></div></body></html>