Top Page > Browsing
Date: 2019/05/23 18:45
Name: reza   <>

Hello to all.
I am working on GaFeO3 with doppant.I have done optimization of cell parameter,internal coordinate, k grid and Ecut and then calculating properties of GaFeO3 with out Hubbard parameter. the size of gap was few. then I inserted Hubbard parameter and calculating the properties. Is it correct or all optimization steps are done wth Hubbard?
Thanks alot.
Page: [1]

Thread Title (must) Move the thread to the top
Your Name (must)
E-Mail (must)
Password (used in modification of the submitted text)
Comment (must)

   Save Cookie