iterations/neb0_image01_iter299_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.363632091383E+03 0.36363E+03 -0.14334E+04 632 0.799E+02
DAV: 2 0.316810862502E+01 -0.36046E+03 -0.34816E+03 831 0.195E+02
DAV: 3 -0.956944518562E+02 -0.98863E+02 -0.98522E+02 666 0.116E+02
DAV: 4 -0.100258365096E+03 -0.45639E+01 -0.45515E+01 696 0.283E+01
DAV: 5 -0.100346122402E+03 -0.87757E-01 -0.87712E-01 728 0.355E+00 0.223E+01
DAV: 6 -0.917116506854E+02 0.86345E+01 -0.30875E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908917355530E+02 0.81992E+00 -0.18510E+00 720 0.637E+00 0.484E+00
DAV: 8 -0.905109068193E+02 0.38083E+00 -0.55869E-01 696 0.431E+00 0.168E+00
DAV: 9 -0.904253271137E+02 0.85580E-01 -0.13589E-01 712 0.164E+00 0.427E-01
DAV: 10 -0.904199044227E+02 0.54227E-02 -0.45667E-02 693 0.125E+00 0.318E-01
DAV: 11 -0.904236245658E+02 -0.37201E-02 -0.65045E-03 608 0.482E-01 0.145E-01
DAV: 12 -0.904271128554E+02 -0.34883E-02 -0.73439E-03 620 0.493E-01 0.131E-01
DAV: 13 -0.904298412154E+02 -0.27284E-02 -0.16333E-03 893 0.324E-01 0.764E-02
DAV: 14 -0.904328930557E+02 -0.30518E-02 -0.12619E-03 639 0.164E-01 0.565E-02
DAV: 15 -0.904350466001E+02 -0.21535E-02 -0.37619E-04 680 0.108E-01 0.435E-02
DAV: 16 -0.904365834678E+02 -0.15369E-02 -0.72591E-04 658 0.156E-01 0.334E-02
DAV: 17 -0.904373115602E+02 -0.72809E-03 -0.13686E-04 728 0.842E-02 0.213E-02
DAV: 18 -0.904375570798E+02 -0.24552E-03 -0.84206E-05 648 0.445E-02 0.819E-03
DAV: 19 -0.904377029802E+02 -0.14590E-03 -0.22987E-05 506 0.236E-02 0.470E-03
DAV: 20 -0.904377375513E+02 -0.34571E-04 -0.38085E-06 480 0.103E-02 0.549E-03
DAV: 21 -0.904377791307E+02 -0.41579E-04 -0.68351E-06 412 0.147E-02 0.283E-03
DAV: 22 -0.904377848994E+02 -0.57686E-05 -0.39371E-06 480 0.111E-02
1 F= -.90437785E+02 E0= -.90443757E+02 d E =0.179175E-01