augmentation part
Posted: Sat Jan 07, 2012 1:28 am
hi,
can someone help me understand the "augmentation part" given in OUTCAR next to the magnetization value, please? For example, in my OUTCAR file I find the following:
number of electron 202.0000052 magnetization 1.7139038
augmentation part 58.0814579 magnetization 0.4236929.
What does the second line mean? Should the second magnetization value be close to zero for accurate results?
Thanks in advance.
can someone help me understand the "augmentation part" given in OUTCAR next to the magnetization value, please? For example, in my OUTCAR file I find the following:
number of electron 202.0000052 magnetization 1.7139038
augmentation part 58.0814579 magnetization 0.4236929.
What does the second line mean? Should the second magnetization value be close to zero for accurate results?
Thanks in advance.