./iterations/neb0_image06_iter3_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 0.365384187154E+03 0.36538E+03 -0.14207E+04 624 0.799E+02
DAV: 2 0.803276805996E+01 -0.35735E+03 -0.34347E+03 861 0.193E+02
DAV: 3 -0.908627487481E+02 -0.98896E+02 -0.98231E+02 688 0.115E+02
DAV: 4 -0.956512696330E+02 -0.47885E+01 -0.47681E+01 696 0.283E+01
DAV: 5 -0.957546726727E+02 -0.10340E+00 -0.10336E+00 760 0.369E+00 0.224E+01
DAV: 6 -0.868836541946E+02 0.88710E+01 -0.33521E+01 663 0.320E+01 0.118E+01
DAV: 7 -0.861065158528E+02 0.77714E+00 -0.22179E+00 720 0.821E+00 0.511E+00
DAV: 8 -0.856721347981E+02 0.43438E+00 -0.69284E-01 712 0.475E+00 0.182E+00
DAV: 9 -0.855980843309E+02 0.74050E-01 -0.19637E-01 712 0.210E+00 0.820E-01
DAV: 10 -0.855882116819E+02 0.98726E-02 -0.40474E-02 776 0.135E+00 0.668E-01
DAV: 11 -0.855774021697E+02 0.10810E-01 -0.24989E-02 712 0.751E-01 0.289E-01
DAV: 12 -0.855793945584E+02 -0.19924E-02 -0.12093E-02 666 0.644E-01 0.186E-01
DAV: 13 -0.855818337798E+02 -0.24392E-02 -0.34492E-03 638 0.329E-01 0.157E-01
DAV: 14 -0.855861205505E+02 -0.42868E-02 -0.22268E-03 676 0.244E-01 0.720E-02
DAV: 15 -0.855888344720E+02 -0.27139E-02 -0.58094E-04 649 0.137E-01 0.484E-02
DAV: 16 -0.855913418770E+02 -0.25074E-02 -0.45707E-04 674 0.106E-01 0.304E-02
DAV: 17 -0.855925180779E+02 -0.11762E-02 -0.10819E-04 792 0.712E-02 0.179E-02
DAV: 18 -0.855934671418E+02 -0.94906E-03 -0.12200E-04 668 0.543E-02 0.140E-02
DAV: 19 -0.855937668482E+02 -0.29971E-03 -0.17016E-05 509 0.319E-02 0.703E-03
DAV: 20 -0.855940279027E+02 -0.26105E-03 -0.72449E-05 631 0.394E-02 0.112E-02
DAV: 21 -0.855940650987E+02 -0.37196E-04 -0.90642E-06 512 0.296E-02 0.410E-03
DAV: 22 -0.855941034400E+02 -0.38341E-04 -0.30581E-05 593 0.268E-02 0.903E-03
DAV: 23 -0.855941103927E+02 -0.69527E-05 -0.37313E-06 469 0.172E-02
1 F= -.85594110E+02 E0= -.85602011E+02 d E =0.237013E-01