iterations/neb0_image02_iter1_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status: finishedN E dE d eps ncg rms rms(c) DAV: 1 0.368322975833E+03 0.36832E+03 -0.14294E+04 624 0.799E+02 DAV: 2 0.491665889445E+01 -0.36341E+03 -0.35064E+03 839 0.195E+02 DAV: 3 -0.942946711579E+02 -0.99211E+02 -0.98863E+02 677 0.117E+02 DAV: 4 -0.988272543621E+02 -0.45326E+01 -0.45203E+01 712 0.280E+01 DAV: 5 -0.989228449901E+02 -0.95591E-01 -0.95550E-01 736 0.355E+00 0.228E+01 DAV: 6 -0.900464957739E+02 0.88763E+01 -0.30939E+01 696 0.298E+01 0.119E+01 DAV: 7 -0.891536754847E+02 0.89282E+00 -0.17583E+00 704 0.655E+00 0.491E+00 DAV: 8 -0.887826424200E+02 0.37103E+00 -0.64960E-01 728 0.488E+00 0.178E+00 DAV: 9 -0.887103756278E+02 0.72267E-01 -0.13503E-01 736 0.204E+00 0.642E-01 DAV: 10 -0.886953657183E+02 0.15010E-01 -0.26050E-02 704 0.803E-01 0.490E-01 DAV: 11 -0.887049832776E+02 -0.96176E-02 -0.35322E-02 768 0.160E+00 0.613E-01 DAV: 12 -0.886978935264E+02 0.70898E-02 -0.11052E-02 608 0.669E-01 0.496E-01 DAV: 13 -0.886979694563E+02 -0.75930E-04 -0.14700E-02 642 0.976E-01 0.172E-01 DAV: 14 -0.887003809825E+02 -0.24115E-02 -0.40843E-03 661 0.356E-01 0.155E-01 DAV: 15 -0.887034000703E+02 -0.30191E-02 -0.11711E-03 684 0.205E-01 0.241E-01 DAV: 16 -0.887041116506E+02 -0.71158E-03 -0.60094E-04 770 0.252E-01 0.777E-02 DAV: 17 -0.887058273300E+02 -0.17157E-02 -0.10065E-03 672 0.187E-01 0.624E-02 DAV: 18 -0.887066477623E+02 -0.82043E-03 -0.11276E-04 677 0.866E-02 0.251E-02 DAV: 19 -0.887075066060E+02 -0.85884E-03 -0.14623E-04 649 0.543E-02 0.372E-02 DAV: 20 -0.887078094592E+02 -0.30285E-03 -0.30936E-05 544 0.381E-02 0.881E-03 DAV: 21 -0.887079978266E+02 -0.18837E-03 -0.31477E-05 537 0.288E-02 0.832E-03 DAV: 22 -0.887080387809E+02 -0.40954E-04 -0.44591E-06 512 0.114E-02 0.497E-03 DAV: 23 -0.887080740950E+02 -0.35314E-04 -0.69008E-06 401 0.183E-02 0.504E-03 DAV: 24 -0.887080896546E+02 -0.15560E-04 -0.28968E-06 472 0.971E-03 0.324E-03 DAV: 25 -0.887080954891E+02 -0.58346E-05 -0.15164E-06 436 0.807E-03 1 F= -.88708095E+02 E0= -.88716031E+02 d E =0.238063E-01