PAW USPP psudopotential for Nitrogen
Posted: Tue Jul 26, 2016 8:42 am
Hi,
I would like to use USPP PAW potentials for a calculation which consists B, C and N atoms. I have found GGA-USPP-PAW potentials for B and C but for not N.
I have downloaded PPs from this link. http://www.abinit.org/downloads/PAW2/OL ... ATOMICDATA
I found for B and C there are two files (a) GGA-ATOMPAW and (b) GGA-USPP-OPTIMIZED but for N found only one file "GGA-ATOMPAW". Where can find GGA-USPP-OPTIMIZED for N atom?
Thanks,
Naresh
I would like to use USPP PAW potentials for a calculation which consists B, C and N atoms. I have found GGA-USPP-PAW potentials for B and C but for not N.
I have downloaded PPs from this link. http://www.abinit.org/downloads/PAW2/OL ... ATOMICDATA
I found for B and C there are two files (a) GGA-ATOMPAW and (b) GGA-USPP-OPTIMIZED but for N found only one file "GGA-ATOMPAW". Where can find GGA-USPP-OPTIMIZED for N atom?
Thanks,
Naresh