iterations/neb0_image03_iter283_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 0.363022080619E+03 0.36302E+03 -0.14322E+04 632 0.799E+02
DAV: 2 0.950488565700E+00 -0.36207E+03 -0.34967E+03 853 0.195E+02
DAV: 3 -0.959910299232E+02 -0.96942E+02 -0.96633E+02 669 0.115E+02
DAV: 4 -0.100298350706E+03 -0.43073E+01 -0.42977E+01 696 0.277E+01
DAV: 5 -0.100383321506E+03 -0.84971E-01 -0.84948E-01 736 0.348E+00 0.223E+01
DAV: 6 -0.917064676081E+02 0.86769E+01 -0.31321E+01 680 0.300E+01 0.117E+01
DAV: 7 -0.908684108296E+02 0.83806E+00 -0.17953E+00 712 0.635E+00 0.485E+00
DAV: 8 -0.904772124915E+02 0.39120E+00 -0.55929E-01 696 0.430E+00 0.169E+00
DAV: 9 -0.903879135688E+02 0.89299E-01 -0.13588E-01 720 0.171E+00 0.442E-01
DAV: 10 -0.903816017265E+02 0.63118E-02 -0.43371E-02 720 0.116E+00 0.327E-01
DAV: 11 -0.903851356758E+02 -0.35339E-02 -0.55397E-03 632 0.578E-01 0.124E-01
DAV: 12 -0.903886650440E+02 -0.35294E-02 -0.56143E-03 616 0.349E-01 0.116E-01
DAV: 13 -0.903929956352E+02 -0.43306E-02 -0.14122E-03 823 0.265E-01 0.779E-02
DAV: 14 -0.903963676314E+02 -0.33720E-02 -0.10687E-03 637 0.143E-01 0.506E-02
DAV: 15 -0.903985419676E+02 -0.21743E-02 -0.31098E-04 680 0.944E-02 0.236E-02
DAV: 16 -0.903999434765E+02 -0.14015E-02 -0.28204E-04 658 0.860E-02 0.244E-02
DAV: 17 -0.904005127550E+02 -0.56928E-03 -0.10725E-04 725 0.695E-02 0.115E-02
DAV: 18 -0.904007797992E+02 -0.26704E-03 -0.54220E-05 669 0.347E-02 0.112E-02
DAV: 19 -0.904008608467E+02 -0.81048E-04 -0.86152E-06 472 0.225E-02 0.582E-03
DAV: 20 -0.904009260886E+02 -0.65242E-04 -0.25981E-05 567 0.282E-02 0.633E-03
DAV: 21 -0.904009599455E+02 -0.33857E-04 -0.61604E-06 464 0.212E-02 0.188E-03
DAV: 22 -0.904009684753E+02 -0.85298E-05 -0.41326E-06 488 0.994E-03
1 F= -.90400968E+02 E0= -.90409315E+02 d E =0.250398E-01