./iterations/neb0_image01_iter298_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 0.363675337501E+03 0.36368E+03 -0.14335E+04 632 0.799E+02
DAV: 2 0.317013178659E+01 -0.36051E+03 -0.34819E+03 828 0.195E+02
DAV: 3 -0.956888812183E+02 -0.98859E+02 -0.98522E+02 666 0.116E+02
DAV: 4 -0.100261111743E+03 -0.45722E+01 -0.45593E+01 696 0.283E+01
DAV: 5 -0.100349058461E+03 -0.87947E-01 -0.87900E-01 728 0.355E+00 0.223E+01
DAV: 6 -0.917129575230E+02 0.86361E+01 -0.30863E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908916227363E+02 0.82133E+00 -0.18523E+00 720 0.638E+00 0.484E+00
DAV: 8 -0.905104791275E+02 0.38114E+00 -0.55967E-01 696 0.431E+00 0.168E+00
DAV: 9 -0.904249030963E+02 0.85576E-01 -0.13596E-01 712 0.164E+00 0.428E-01
DAV: 10 -0.904194667460E+02 0.54364E-02 -0.45507E-02 701 0.125E+00 0.317E-01
DAV: 11 -0.904231889963E+02 -0.37223E-02 -0.64751E-03 608 0.479E-01 0.146E-01
DAV: 12 -0.904266772839E+02 -0.34883E-02 -0.73213E-03 620 0.493E-01 0.131E-01
DAV: 13 -0.904294141788E+02 -0.27369E-02 -0.16119E-03 885 0.322E-01 0.764E-02
DAV: 14 -0.904324636529E+02 -0.30495E-02 -0.12665E-03 639 0.164E-01 0.561E-02
DAV: 15 -0.904346334410E+02 -0.21698E-02 -0.37688E-04 680 0.108E-01 0.434E-02
DAV: 16 -0.904361637500E+02 -0.15303E-02 -0.71108E-04 650 0.154E-01 0.330E-02
DAV: 17 -0.904368980879E+02 -0.73434E-03 -0.13905E-04 736 0.852E-02 0.208E-02
DAV: 18 -0.904371373527E+02 -0.23926E-03 -0.81454E-05 648 0.435E-02 0.839E-03
DAV: 19 -0.904372846992E+02 -0.14735E-03 -0.23858E-05 514 0.240E-02 0.452E-03
DAV: 20 -0.904373174571E+02 -0.32758E-04 -0.34449E-06 480 0.101E-02 0.522E-03
DAV: 21 -0.904373575770E+02 -0.40120E-04 -0.62321E-06 412 0.137E-02 0.291E-03
DAV: 22 -0.904373642857E+02 -0.67087E-05 -0.35250E-06 480 0.107E-02
1 F= -.90437364E+02 E0= -.90443300E+02 d E =0.178075E-01