Some small wrong in electronic band structure which I worked out
Posted: Tue Mar 26, 2013 9:28 am
Dear all:
The wrong occur in the conduction band(insulator).
at the top of the conduction band (about 10ev),the lines aren't smooth ,such as sawtooth. It's so ugly.,
how to sovle it?
but at the bottom and in the middle of the conductiong band,everything acts OK.lines are smooth and same to the former others' reseaches.
the ECUT=500, 40 points between every special point.
thanks for your reading!
chan Xin
The wrong occur in the conduction band(insulator).
at the top of the conduction band (about 10ev),the lines aren't smooth ,such as sawtooth. It's so ugly.,
how to sovle it?
but at the bottom and in the middle of the conductiong band,everything acts OK.lines are smooth and same to the former others' reseaches.
the ECUT=500, 40 points between every special point.
thanks for your reading!
chan Xin