iterations/neb0_image09_iter131_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 0.374351639024E+03 0.37435E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.244412669490E+01 -0.37191E+03 -0.35962E+03 877 0.196E+02
DAV: 3 -0.966931392472E+02 -0.99137E+02 -0.98801E+02 656 0.116E+02
DAV: 4 -0.101230943894E+03 -0.45378E+01 -0.45282E+01 704 0.289E+01
DAV: 5 -0.101320540354E+03 -0.89596E-01 -0.89557E-01 736 0.367E+00 0.227E+01
DAV: 6 -0.926706866585E+02 0.86499E+01 -0.30873E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.918056360434E+02 0.86505E+00 -0.17098E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914292258254E+02 0.37641E+00 -0.54426E-01 712 0.396E+00 0.163E+00
DAV: 9 -0.913472187403E+02 0.82007E-01 -0.13081E-01 712 0.155E+00 0.424E-01
DAV: 10 -0.913384775435E+02 0.87412E-02 -0.45574E-02 776 0.112E+00 0.303E-01
DAV: 11 -0.913428797926E+02 -0.44022E-02 -0.12824E-02 624 0.589E-01 0.141E-01
DAV: 12 -0.913458668086E+02 -0.29870E-02 -0.29538E-03 626 0.246E-01 0.110E-01
DAV: 13 -0.913496545037E+02 -0.37877E-02 -0.14653E-03 677 0.208E-01 0.450E-02
DAV: 14 -0.913531394768E+02 -0.34850E-02 -0.69602E-04 672 0.150E-01 0.349E-02
DAV: 15 -0.913543233696E+02 -0.11839E-02 -0.13135E-04 688 0.765E-02 0.345E-02
DAV: 16 -0.913557517595E+02 -0.14284E-02 -0.39516E-04 633 0.105E-01 0.213E-02
DAV: 17 -0.913560518612E+02 -0.30010E-03 -0.69517E-05 752 0.630E-02 0.115E-02
DAV: 18 -0.913562924097E+02 -0.24055E-03 -0.40181E-05 562 0.295E-02 0.108E-02
DAV: 19 -0.913564088464E+02 -0.11644E-03 -0.12975E-05 472 0.187E-02 0.513E-03
DAV: 20 -0.913564422005E+02 -0.33354E-04 -0.96944E-06 464 0.192E-02 0.205E-03
DAV: 21 -0.913564633570E+02 -0.21157E-04 -0.47649E-06 423 0.107E-02 0.311E-03
DAV: 22 -0.913564671970E+02 -0.38400E-05 -0.80261E-07 504 0.503E-03
1 F= -.91356467E+02 E0= -.91361269E+02 d E =0.144049E-01