./iterations/neb0_image01_iter118_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 0.366231695401E+03 0.36623E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.335151961923E+01 -0.36288E+03 -0.34963E+03 839 0.195E+02
DAV: 3 -0.956799799562E+02 -0.99031E+02 -0.98686E+02 677 0.116E+02
DAV: 4 -0.100193304167E+03 -0.45133E+01 -0.45036E+01 693 0.283E+01
DAV: 5 -0.100283645271E+03 -0.90341E-01 -0.90288E-01 744 0.355E+00 0.222E+01
DAV: 6 -0.916816594549E+02 0.86020E+01 -0.31034E+01 685 0.298E+01 0.117E+01
DAV: 7 -0.908711229861E+02 0.81054E+00 -0.18182E+00 720 0.637E+00 0.484E+00
DAV: 8 -0.904921443584E+02 0.37898E+00 -0.56134E-01 712 0.430E+00 0.167E+00
DAV: 9 -0.904090234519E+02 0.83121E-01 -0.13489E-01 712 0.164E+00 0.427E-01
DAV: 10 -0.904039104868E+02 0.51130E-02 -0.44859E-02 712 0.124E+00 0.314E-01
DAV: 11 -0.904077773086E+02 -0.38668E-02 -0.64766E-03 608 0.475E-01 0.141E-01
DAV: 12 -0.904113571737E+02 -0.35799E-02 -0.69907E-03 626 0.491E-01 0.128E-01
DAV: 13 -0.904140235374E+02 -0.26664E-02 -0.14800E-03 848 0.310E-01 0.747E-02
DAV: 14 -0.904169540905E+02 -0.29306E-02 -0.13386E-03 642 0.172E-01 0.568E-02
DAV: 15 -0.904189838057E+02 -0.20297E-02 -0.36783E-04 672 0.114E-01 0.444E-02
DAV: 16 -0.904203682862E+02 -0.13845E-02 -0.73633E-04 661 0.160E-01 0.346E-02
DAV: 17 -0.904211302758E+02 -0.76199E-03 -0.15112E-04 749 0.895E-02 0.216E-02
DAV: 18 -0.904213280826E+02 -0.19781E-03 -0.58452E-05 672 0.373E-02 0.115E-02
DAV: 19 -0.904215317150E+02 -0.20363E-03 -0.50620E-05 633 0.349E-02 0.610E-03
DAV: 20 -0.904215515238E+02 -0.19809E-04 -0.36100E-06 512 0.135E-02 0.607E-03
DAV: 21 -0.904215890120E+02 -0.37488E-04 -0.66002E-06 398 0.148E-02 0.445E-03
DAV: 22 -0.904216033680E+02 -0.14356E-04 -0.36321E-06 477 0.128E-02 0.227E-03
DAV: 23 -0.904216052708E+02 -0.19027E-05 -0.27694E-06 528 0.962E-03
1 F= -.90421605E+02 E0= -.90426842E+02 d E =0.157114E-01