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)= -3.1690 E(BOTTOM)= -3.229 E(TOP)= -3.109 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: -3.1682183 -3.1682183 -3.1682183 -3.1642553 -3.1535853 :EIG00006: -3.1535853 -3.1535853 -3.1499297 -3.1499297 -3.1485842 :EIG00011: -3.1485842 -3.1485842 -0.1806215 0.2051884 0.2051884 :EIG00016: 0.2051884 0.4022211 0.4022211 0.4022211 0.5067587 :EIG00021: 0.5067587 0.5067587 0.5324624 0.5532390 0.5532390 :EIG00026: 0.5682789 0.5682789 0.5682789 0.6133642 0.6133642 :EIG00031: 0.6133642 0.7150232 0.7150232 0.7150232 0.7243536 :EIG00036: 0.7243536 0.7790653 0.7790653 0.7790653 0.9713607 :EIG00041: 0.9713607 0.9713607 1.0122910 1.0122910 1.0570318 :EIG00046: 1.0570318 1.0570318 1.1720107 1.2515870 1.2515870 :EIG00051: 1.2515870 1.3944778 1.3944778 1.3944778 1.4904401 :EIG00056: 1.5380002 1.5426411 1.5426411 1.5426411 1.8753362 :EIG00061: 1.8753362 2.0500663 2.0500663 2.0500663 2.1076253 :EIG00066: 2.1506368 2.1506368 2.2031119 2.2031119 2.2031119 :EIG00071: 2.3178074 2.3178074 2.3178074 2.4750483 2.4750483 :EIG00076: 2.4750483 2.5120121 2.5120121 2.5433378 2.5433378 :EIG00081: 2.5433378 2.7225636 2.7225636 2.7225636 2.7772290 :EIG00086: 2.8875788 2.8875788 2.8875788 2.9032992 2.9312393 :EIG00091: 2.9312393 2.9312393 ******************************************************** :KPT : NUMBER OF K-POINTS: 451