What magnetization(x) will give in OUTCAR file. Is it total magnetic moment?
Posted: Thu Sep 20, 2012 12:35 pm
Hi,
I would like to know what is magnetization(x) in OUTCAR file?. Is it total magnetic moment on each atom?. I add magnetic moment of all atoms from magnetization(x) and I compared with total magnetic moment of sysytem given by OSZICAR. But these two values are different. I am worrying whether my results are wrong. please clarify this doubt. It's urgent. I used LORBIT = 11 in INCAR file and ISPIN = 2.
Thank you.
I would like to know what is magnetization(x) in OUTCAR file?. Is it total magnetic moment on each atom?. I add magnetic moment of all atoms from magnetization(x) and I compared with total magnetic moment of sysytem given by OSZICAR. But these two values are different. I am worrying whether my results are wrong. please clarify this doubt. It's urgent. I used LORBIT = 11 in INCAR file and ISPIN = 2.
Thank you.