<div dir="ltr"><div>Hi,</div><div>Thank you so much for your answer.</div><div> </div><div>Best Regards. </div></div> <div class="gmail_quote"><div dir="ltr" class="gmail_attr">El vie., 4 sept. 2020 a las 8:07, <<a href="mailto:hut...@chem.uzh.ch">hut...@chem.uzh.ch</a>> escribió: </div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">Hi CP2K Version 8.0 is the development version. It is available from <a href="http://github.com/cp2k/cp2k" rel="noreferrer" target="_blank">github.com/cp2k/cp2k</a>. See <a href="https://www.cp2k.org/download" rel="noreferrer" target="_blank">https://www.cp2k.org/download</a> for instructions. This version allows for xTB-sTDA calculations. Excited states gradients are not available. regards Juerg Hutter -------------------------------------------------------------- Juerg Hutter Phone : ++41 44 635 4491 Institut für Chemie C FAX : ++41 44 635 6838 Universität Zürich E-mail: <a href="mailto:hut...@chem.uzh.ch" target="_blank">hut...@chem.uzh.ch</a> Winterthurerstrasse 190 CH-8057 Zürich, Switzerland --------------------------------------------------------------- -----<a href="mailto:cp...@googlegroups.com" target="_blank">cp...@googlegroups.com</a> wrote: ----- To: "cp2k" <<a href="mailto:cp...@googlegroups.com" target="_blank">cp...@googlegroups.com</a>> From: "gonzalo diaz miron" Sent by: <a href="mailto:cp...@googlegroups.com" target="_blank">cp...@googlegroups.com</a> Date: 09/04/2020 09:36AM Subject: Re: [CP2K:13830] TD-DFTB Hello, I'm new user of cp2k. I want to use this code to run excited states calculation (Energy and Forces) with dftb method and periodic boundary conditions, is it possible to do that?. I've the latest pre-compilated version what is v7.1. What is the version 8.0? I could not find. Best. El lunes, 31 de agosto de 2020 a las 4:10:49 UTC-3, jgh escribió: Hi in the latest version 8.0 (github trunk, developers version) there is the possibility to run xTB-sTDA calculations. CP2K_INPUT / FORCE_EVAL / PROPERTIES / TDDFPT / STDA this is a new feature, please test best regards Juerg Hutter -------------------------------------------------------------- Juerg Hutter Phone : ++41 44 635 4491 Institut für Chemie C FAX : ++41 44 635 6838 Universität Zürich E-mail: <a href="mailto:h...@chem.uzh.ch" target="_blank">h...@chem.uzh.ch</a> Winterthurerstrasse 190 CH-8057 Zürich, Switzerland --------------------------------------------------------------- -----<a href="mailto:c...@googlegroups.com" target="_blank">c...@googlegroups.com</a> wrote: ----- To: "cp2k" <<a href="mailto:c...@googlegroups.com" target="_blank">c...@googlegroups.com</a>> From: "<a href="mailto:mr...@gmail.com" target="_blank">mr...@gmail.com</a>" Sent by: <a href="mailto:c...@googlegroups.com" target="_blank">c...@googlegroups.com</a> Date: 08/28/2020 05:18PM Subject: [CP2K:13825] TD-DFTB Hello CP2K users, Can someone please tell me, can CP2K to TD-DFTB calculations? In other words, DFTB excited states? Thank you, Brendan Smith SUNY Buffalo -- You received this message because you are subscribed to the Google Groups "cp2k" group. To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k%...@googlegroups.com" target="_blank">cp...@googlegroups.com</a>. To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/b0f699ae-01e4-4a9a-8b4b-ec6d0f410266n%40googlegroups.com" rel="noreferrer" target="_blank">https://groups.google.com/d/msgid/cp2k/b0f699ae-01e4-4a9a-8b4b-ec6d0f410266n%40googlegroups.com</a>. -- You received this message because you are subscribed to the Google Groups "cp2k" group. To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k%2Bun...@googlegroups.com" target="_blank">cp...@googlegroups.com</a>. To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/6a8af1bd-7b45-4c2d-91b3-b84e73fa0a21n%40googlegroups.com" rel="noreferrer" target="_blank">https://groups.google.com/d/msgid/cp2k/6a8af1bd-7b45-4c2d-91b3-b84e73fa0a21n%40googlegroups.com</a>. -- You received this message because you are subscribed to the Google Groups "cp2k" group. To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k%2Bun...@googlegroups.com" target="_blank">cp...@googlegroups.com</a>. To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/OF34902620.66B0ED17-ONC12585D9.003D1E7B-C12585D9.003D1E7D%40lotus.uzh.ch" rel="noreferrer" target="_blank">https://groups.google.com/d/msgid/cp2k/OF34902620.66B0ED17-ONC12585D9.003D1E7B-C12585D9.003D1E7D%40lotus.uzh.ch</a>. </blockquote></div>