ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM Np1 :e__0001: OVERALL ENERGY PARAMETER IS 0.3000 OVERALL BASIS SET ON ATOM IS LAPW :E0_0001: E( 0)= 0.3000 APW+lo :E0_0001: E( 0)= -2.7330 E(BOTTOM)= -3.042 E(TOP)= -2.424 LOCAL ORBITAL :E1_0001: E( 1)= -0.7460 E(BOTTOM)= -1.468 E(TOP)= -0.024 APW+lo :E1_0001: E( 1)= 0.3000 LOCAL ORBITAL :E3_0001: E( 3)= 0.6300 E(BOTTOM)= 0.350 E(TOP)= 0.910 APW+lo :E2_0001: E( 2)= 0.3000 E(BOTTOM)= 0.270 E(TOP)= -200.000 APW+lo ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM Co1 :e__0002: OVERALL ENERGY PARAMETER IS 0.3000 OVERALL BASIS SET ON ATOM IS LAPW :E0_0002: E( 0)= 0.3000 APW+lo :E0_0002: E( 0)= -6.3590 E(BOTTOM)= -6.364 E(TOP)= -6.354 LOCAL ORBITAL :E1_0002: E( 1)= 0.3000 APW+lo :E1_0002: E( 1)= -3.6645 E(BOTTOM)= -3.683 E(TOP)= -3.646 LOCAL ORBITAL :E2_0002: E( 2)= 0.4825 E(BOTTOM)= 0.280 E(TOP)= 0.685 APW+lo ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM Ga1 :e__0003: OVERALL ENERGY PARAMETER IS 0.3000 OVERALL BASIS SET ON ATOM IS LAPW :E1_0003: E( 1)= 0.3000 APW+lo :E1_0003: E( 1)= -6.3105 E(BOTTOM)= -6.322 E(TOP)= -6.299 LOCAL ORBITAL :E2_0003: E( 2)= -0.4830 E(BOTTOM)= -0.610 E(TOP)= -0.356 APW+lo :E2_0003: E( 2)= 0.3000 LOCAL ORBITAL :E0_0003: E( 0)= 0.3000 APW+lo ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM Ga2 :e__0004: OVERALL ENERGY PARAMETER IS 0.3000 OVERALL BASIS SET ON ATOM IS LAPW :E1_0004: E( 1)= 0.3000 APW+lo :E1_0004: E( 1)= -6.3250 E(BOTTOM)= -6.336 E(TOP)= -6.314 LOCAL ORBITAL :E2_0004: E( 2)= -0.4990 E(BOTTOM)= -0.626 E(TOP)= -0.372 APW+lo :E2_0004: E( 2)= 0.3000 LOCAL ORBITAL :E0_0004: E( 0)= 0.3000 APW+lo K= 0.00000 0.00000 0.00000 1 :RKM : MATRIX SIZE 579LOs: 118 RKM= 6.99 WEIGHT= 1.00 PGR: EIGENVALUES ARE: :EIG00001: -6.3585132 -6.3286409 -6.3286409 -6.3285994 -6.3285994 :EIG00006: -6.3225103 -6.3224817 -6.3219308 -6.3219282 -6.3199015 :EIG00011: -6.3199015 -6.3198165 -6.3198165 -6.3118262 -6.3073743 :EIG00016: -6.3073743 -3.6636435 -3.6636435 -3.6568507 -2.6871427 :EIG00021: -0.8042007 -0.7870567 -0.7870567 -0.4888413 -0.4845402 :EIG00026: -0.4817416 -0.4813463 -0.4800942 -0.4781599 -0.4781599 :EIG00031: -0.4757303 -0.4732681 -0.4732681 -0.4705606 -0.4705606 :EIG00036: -0.4654315 -0.4651006 -0.4647823 -0.4624361 -0.4624361 :EIG00041: -0.4573903 -0.4563870 -0.4562313 -0.4556201 -0.4519016 :EIG00046: -0.4514163 -0.4503418 -0.4503418 -0.1758781 0.0935875 :EIG00051: 0.0991111 0.2412883 0.4111604 0.4111604 0.4413862 :EIG00056: 0.4514521 0.4642411 0.4642411 0.4874549 0.5030317 :EIG00061: 0.5962554 0.5962554 0.5979730 0.6462729 0.6472363 :EIG00066: 0.6472363 0.6743741 0.6743741 0.7006742 0.7079999 :EIG00071: 0.7288061 0.7967806 0.8163575 0.8660802 0.8660802 :EIG00076: 0.8725573 0.9560929 1.0287007 1.0287007 1.0744964 :EIG00081: 1.0899022 1.0899022 1.2220231 1.3021382 1.3182268 :EIG00086: 1.3329669 1.3329669 1.3569943 1.3915365 1.3915365 :EIG00091: 1.4057428 1.4161169 1.4536283 1.7456009 1.7949776 :EIG00096: 1.7949776 1.8065328 1.8065328 1.8269063 1.9357454 :EIG00101: 1.9778047 1.9820358 2.0576699 2.1569874 2.1569874 :EIG00106: 2.2206784 2.2417818 2.3027701 2.3639927 2.3639927 :EIG00111: 2.4383313 2.4387648 2.4387648 2.4899132 2.5026211 :EIG00116: 2.5039114 2.5039114 2.5059662 2.5231555 2.5523915 :EIG00121: 2.5523915 2.5947937 2.7179069 2.7179069 2.7180751 :EIG00126: 2.8176400 2.8176400 2.8289399 2.8498133 2.8995058 :EIG00131: 2.9003502 2.9003502 2.9804204 2.9840490 2.9994083 :EIG00136: 2.9994083 3.0180169 3.0633447 3.0633447 3.0655384 :EIG00141: 3.1003778 3.1003778 3.1074249 3.1220909 3.1263505 :EIG00146: 3.1263505 3.1296965 3.1468362 3.1468362 3.1512190 :EIG00151: 3.1705128 3.2188698 3.2243957 3.3294910 3.3565648 :EIG00156: 3.3565648 3.3761123 3.3761123 3.3853326 3.4313043 :EIG00161: 3.5511365 3.5997932 3.6634123 3.6899209 3.6952908 :EIG00166: 3.7113487 3.7197234 3.7197234 3.7547011 3.8109457 :EIG00171: 3.8109457 3.8603080 3.8603080 3.8668639 3.8776325 :EIG00176: 3.8776325 3.9057870 3.9154640 3.9611900 ******************************************************** :KPT : NUMBER OF K-POINTS: 84