iterations/neb0_image09_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 0.374728265687E+03 0.37473E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.247491054024E+01 -0.37225E+03 -0.35991E+03 877 0.196E+02
DAV: 3 -0.968324792488E+02 -0.99307E+02 -0.98973E+02 664 0.117E+02
DAV: 4 -0.101264349341E+03 -0.44319E+01 -0.44226E+01 704 0.284E+01
DAV: 5 -0.101350733481E+03 -0.86384E-01 -0.86346E-01 736 0.361E+00 0.227E+01
DAV: 6 -0.926768516336E+02 0.86739E+01 -0.30916E+01 701 0.302E+01 0.119E+01
DAV: 7 -0.918044848259E+02 0.87237E+00 -0.17141E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914270941496E+02 0.37739E+00 -0.54189E-01 712 0.395E+00 0.164E+00
DAV: 9 -0.913443620939E+02 0.82732E-01 -0.13155E-01 712 0.155E+00 0.425E-01
DAV: 10 -0.913355505402E+02 0.88116E-02 -0.46157E-02 784 0.113E+00 0.304E-01
DAV: 11 -0.913400052729E+02 -0.44547E-02 -0.13218E-02 624 0.601E-01 0.143E-01
DAV: 12 -0.913429300525E+02 -0.29248E-02 -0.29508E-03 623 0.239E-01 0.118E-01
DAV: 13 -0.913468450195E+02 -0.39150E-02 -0.19211E-03 696 0.237E-01 0.444E-02
DAV: 14 -0.913501318650E+02 -0.32868E-02 -0.52386E-04 669 0.124E-01 0.310E-02
DAV: 15 -0.913517436731E+02 -0.16118E-02 -0.13685E-04 672 0.634E-02 0.311E-02
DAV: 16 -0.913529926683E+02 -0.12490E-02 -0.31937E-04 655 0.899E-02 0.197E-02
DAV: 17 -0.913532274641E+02 -0.23480E-03 -0.37188E-05 640 0.438E-02 0.131E-02
DAV: 18 -0.913534655819E+02 -0.23812E-03 -0.53330E-05 614 0.364E-02 0.102E-02
DAV: 19 -0.913535454322E+02 -0.79850E-04 -0.79325E-06 480 0.217E-02 0.525E-03
DAV: 20 -0.913535816398E+02 -0.36208E-04 -0.17662E-05 448 0.247E-02 0.427E-03
DAV: 21 -0.913535984736E+02 -0.16834E-04 -0.31559E-06 450 0.107E-02 0.327E-03
DAV: 22 -0.913536036831E+02 -0.52096E-05 -0.20948E-06 434 0.934E-03
1 F= -.91353604E+02 E0= -.91358339E+02 d E =0.142069E-01