LDA for Gd2O3 - missing POTCAR file
Posted: Tue Jun 26, 2012 7:01 pm
Hi All,
I am trying to run sme test LDA+U calculation for Gd2O3. However The proper POTCAR
PAW_LDA for Gd is missing. What is the best solution? I mean can I use the PAW_PBE and set the GGA flag to 0? or is ther any better strategy?
Thanks
P.S: I am quite new to the vasp world, so allow me to apologize if the question is too ingenuous.
<span class='smallblacktext'>[ Edited ]</span>
I am trying to run sme test LDA+U calculation for Gd2O3. However The proper POTCAR
PAW_LDA for Gd is missing. What is the best solution? I mean can I use the PAW_PBE and set the GGA flag to 0? or is ther any better strategy?
Thanks
P.S: I am quite new to the vasp world, so allow me to apologize if the question is too ingenuous.
<span class='smallblacktext'>[ Edited ]</span>