d-band center calculation error
Posted: Thu Apr 18, 2013 6:01 pm
Hi admins,
I have this error when I was trying to calculate the d-band center.
"Energy 0 in file DOS9 does not match first file."
This error would not appear when I exclude from DOS1 to DOS8.
What should I do to avoid this error? Thanks.
Minki
I have this error when I was trying to calculate the d-band center.
"Energy 0 in file DOS9 does not match first file."
This error would not appear when I exclude from DOS1 to DOS8.
What should I do to avoid this error? Thanks.
Minki