[Pw_forum] Existing USPPs for Potassium

2015-08-20 Thread Youssef
Dear Eric, May be it was generated from an earlier ps library, Have a look on this page: http://people.sissa.it/~dalcorso/pslibrary_help.html Youssef Aharbil, Laboratory of Physics and Chemistry of Materials Faculty of sciences Ben msik, Casablanca Morocco

[Pw_forum] Existing USPPs for Potassium

2015-08-17 Thread Eric Glen Suter
Hello All, My research is focusing on potassium niobate (KNbO3) and I've been using ultrasoft pseudo potentials to run GGA calculations of the system. I inherited this project from a predecessor and as such I've been using the pseudo potentials from her library to do calculations. The header