Dear uses,
the following is some data of my calculation:
ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM O 1
OVERALL ENERGY PARAMETER IS 0.3000
OVERALL BASIS SET ON ATOM IS LAPW
E( 0)= -1.0300 E(BOTTOM)= -2.370 E(TOP)= 0.310
LAPW
E( 0)= 0.3000
LOCAL ORBITAL
E( 1)= 0.3000
LAPW
My question: should I change the E(TOP) to be negative?
thanks.