https://www.cp2k.org/ 2026-05-06T17:53:26+00:00 https://www.cp2k.org/ https://www.cp2k.org/_media/wiki:logo.png text/html 2020-08-21T10:15:13+00:00 Anonymous (anonymous@undisclosed.example.com) https://www.cp2k.org/exercises:2019_uzh_cmest:faq?rev=1598004913&do=diff Which basis sets and/or pseudopotentials should I use? When in doubt, always use the DZVP-MOLOPT-GTH basis set and the GTH-PBE pseudopotential. In some cases (for example for tin) there is only a short-range basis set available, called DZVP-MOLOPT-SR- text/html 2020-08-21T10:15:13+00:00 Anonymous (anonymous@undisclosed.example.com) https://www.cp2k.org/exercises:2019_uzh_cmest:index?rev=1598004913&do=diff Exercises The following exercises are part of the the course CHE 437 Condensed Matter Electronic Structure Theory held at University Zürich during the fall semester 2019. If you have any questions related to the courses or exercise, please send email to teaching assistants Jinggang Lan , or Michela Pauletti or come to office 34K24. text/html 2020-08-21T10:15:13+00:00 Anonymous (anonymous@undisclosed.example.com) https://www.cp2k.org/exercises:2019_uzh_cmest:login?rev=1598004913&do=diff First Login In this exercise you will learn how to login and run commands on our infrastructure. Part I: Login Required software As mentioned in the lecture, you absolutely need a terminal emulator: * on Linux: this can be one of programs Konsole, Gnome Terminal, Terminal, XTerm,