iterations/neb0_image06_iter114_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 0.376244724950E+03 0.37624E+03 -0.14315E+04 632 0.799E+02
DAV: 2 0.408175849791E+01 -0.37216E+03 -0.36022E+03 877 0.195E+02
DAV: 3 -0.955701883031E+02 -0.99652E+02 -0.99322E+02 648 0.117E+02
DAV: 4 -0.100320148941E+03 -0.47500E+01 -0.47385E+01 696 0.295E+01
DAV: 5 -0.100417881239E+03 -0.97732E-01 -0.97682E-01 728 0.377E+00 0.227E+01
DAV: 6 -0.918014976509E+02 0.86164E+01 -0.30699E+01 692 0.305E+01 0.118E+01
DAV: 7 -0.909706792464E+02 0.83082E+00 -0.17355E+00 728 0.630E+00 0.480E+00
DAV: 8 -0.905923844657E+02 0.37829E+00 -0.49847E-01 728 0.396E+00 0.168E+00
DAV: 9 -0.905015980308E+02 0.90786E-01 -0.13876E-01 720 0.169E+00 0.421E-01
DAV: 10 -0.904922732461E+02 0.93248E-02 -0.35624E-02 800 0.104E+00 0.287E-01
DAV: 11 -0.904958573856E+02 -0.35841E-02 -0.99156E-03 605 0.600E-01 0.149E-01
DAV: 12 -0.904977423418E+02 -0.18850E-02 -0.18103E-03 706 0.339E-01 0.955E-02
DAV: 13 -0.905018591806E+02 -0.41168E-02 -0.27271E-03 625 0.274E-01 0.105E-01
DAV: 14 -0.905039715076E+02 -0.21123E-02 -0.63616E-04 696 0.135E-01 0.557E-02
DAV: 15 -0.905075196555E+02 -0.35481E-02 -0.13712E-03 642 0.199E-01 0.537E-02
DAV: 16 -0.905088179168E+02 -0.12983E-02 -0.22233E-04 693 0.896E-02 0.282E-02
DAV: 17 -0.905098666134E+02 -0.10487E-02 -0.23493E-04 701 0.882E-02 0.151E-02
DAV: 18 -0.905102704631E+02 -0.40385E-03 -0.32716E-05 621 0.340E-02 0.125E-02
DAV: 19 -0.905105447614E+02 -0.27430E-03 -0.50464E-05 602 0.390E-02 0.906E-03
DAV: 20 -0.905106052692E+02 -0.60508E-04 -0.98024E-06 504 0.229E-02 0.370E-03
DAV: 21 -0.905106435690E+02 -0.38300E-04 -0.82832E-06 412 0.151E-02 0.208E-03
DAV: 22 -0.905106668348E+02 -0.23266E-04 -0.32137E-06 442 0.756E-03 0.264E-03
DAV: 23 -0.905106724001E+02 -0.55653E-05 -0.68583E-07 490 0.596E-03
1 F= -.90510672E+02 E0= -.90520390E+02 d E =0.291513E-01