Occupation Matrix Calculation Steps https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18895.html https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg07595.html https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18901.html https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg12670.html https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18051.html https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg12771.html DFT+SO+U Calculation Steps https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg13383.html https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg05130.html https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17289.html dmat[up/dn] format https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18914.html https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg02116.html https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg12752.html https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg14253.html On 8/13/2019 9:34 AM, Ranasinghe, Jayangani wrote:
Dear experts What is the procedure to control the occupation matrix when SOC included? Thank you Prasad
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