ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM Fe1 :e__0001: OVERALL ENERGY PARAMETER IS 0.5729 OVERALL BASIS SET ON ATOM IS LAPW :E0_0001: E( 0)= 0.2630 APW+lo :E1_0001: E( 1)= 0.4410 APW+lo :E1_0001: E( 1)= -3.1580 E(BOTTOM)= -3.219 E(TOP)= -3.097 LOCAL ORBITAL :E2_0001: E( 2)= 0.6310 APW+lo ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM Si2 :e__0002: OVERALL ENERGY PARAMETER IS 0.5729 OVERALL BASIS SET ON ATOM IS LAPW :E0_0002: E( 0)= 0.1500 APW+lo :E1_0002: E( 1)= 0.4640 APW+lo :E2_0002: E( 2)= 0.5850 APW+lo K= 0.00000 0.00000 0.00000 1 :RKM : MATRIX SIZE 599LOs: 84 RKM= 7.40 WEIGHT= 1.00 PGR: EIGENVALUES ARE: :EIG00001: -3.1558556 -3.1558556 -3.1558556 -3.1518394 -3.1429618 :EIG00006: -3.1429618 -3.1429618 -3.1392789 -3.1392789 -3.1379078 :EIG00011: -3.1379078 -3.1379078 -0.1816564 0.2045935 0.2045935 :EIG00016: 0.2045935 0.4033945 0.4033945 0.4033945 0.5109866 :EIG00021: 0.5109866 0.5109866 0.5390820 0.5584195 0.5584195 :EIG00026: 0.5748858 0.5748858 0.5748858 0.6183596 0.6183596 :EIG00031: 0.6183596 0.7229849 0.7229849 0.7229849 0.7330205 :EIG00036: 0.7330205 0.7880269 0.7880269 0.7880269 0.9748930 :EIG00041: 0.9748930 0.9748930 1.0163058 1.0163058 1.0605712 :EIG00046: 1.0605712 1.0605712 1.1733743 1.2534559 1.2534559 :EIG00051: 1.2534559 1.3936163 1.3936163 1.3936163 1.4908270 :EIG00056: 1.5382573 1.5427935 1.5427935 1.5427935 1.8746261 :EIG00061: 1.8746261 2.0496483 2.0496483 2.0496483 2.1081941 :EIG00066: 2.1494814 2.1494814 2.2017871 2.2017871 2.2017871 :EIG00071: 2.3173163 2.3173163 2.3173163 2.4747220 2.4747220 :EIG00076: 2.4747220 2.5104934 2.5104934 2.5434720 2.5434720 :EIG00081: 2.5434720 2.7228825 2.7228825 2.7228825 2.7760631 :EIG00086: 2.8890178 2.8890178 2.8890178 2.9036578 2.9312384 :EIG00091: 2.9312384 2.9312384 ******************************************************** :KPT : NUMBER OF K-POINTS: 451