./iterations/neb0_image06_iter67_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 0.375879543519E+03 0.37588E+03 -0.14313E+04 632 0.799E+02
DAV: 2 0.421046411750E+01 -0.37167E+03 -0.35933E+03 869 0.195E+02
DAV: 3 -0.954794297484E+02 -0.99690E+02 -0.99367E+02 648 0.117E+02
DAV: 4 -0.100098014202E+03 -0.46186E+01 -0.46074E+01 704 0.295E+01
DAV: 5 -0.100192988761E+03 -0.94975E-01 -0.94937E-01 728 0.378E+00 0.226E+01
DAV: 6 -0.915774299948E+02 0.86156E+01 -0.30755E+01 677 0.305E+01 0.118E+01
DAV: 7 -0.907324748117E+02 0.84496E+00 -0.16899E+00 720 0.623E+00 0.481E+00
DAV: 8 -0.903472817260E+02 0.38519E+00 -0.53851E-01 696 0.409E+00 0.165E+00
DAV: 9 -0.902573292109E+02 0.89953E-01 -0.13136E-01 720 0.161E+00 0.425E-01
DAV: 10 -0.902474397441E+02 0.98895E-02 -0.47376E-02 720 0.112E+00 0.313E-01
DAV: 11 -0.902521270292E+02 -0.46873E-02 -0.13226E-02 613 0.651E-01 0.164E-01
DAV: 12 -0.902540591414E+02 -0.19321E-02 -0.26538E-03 654 0.253E-01 0.129E-01
DAV: 13 -0.902588523662E+02 -0.47932E-02 -0.37704E-03 625 0.395E-01 0.746E-02
DAV: 14 -0.902604703743E+02 -0.16180E-02 -0.53648E-04 720 0.148E-01 0.573E-02
DAV: 15 -0.902635679652E+02 -0.30976E-02 -0.86090E-04 636 0.171E-01 0.372E-02
DAV: 16 -0.902646650106E+02 -0.10970E-02 -0.20766E-04 693 0.758E-02 0.311E-02
DAV: 17 -0.902652720116E+02 -0.60700E-03 -0.85740E-05 685 0.590E-02 0.154E-02
DAV: 18 -0.902659730793E+02 -0.70107E-03 -0.13158E-04 628 0.574E-02 0.122E-02
DAV: 19 -0.902660252303E+02 -0.52151E-04 -0.65572E-06 536 0.162E-02 0.109E-02
DAV: 20 -0.902661148651E+02 -0.89635E-04 -0.19694E-05 461 0.293E-02 0.387E-03
DAV: 21 -0.902661435017E+02 -0.28637E-04 -0.59697E-06 493 0.133E-02 0.373E-03
DAV: 22 -0.902661560110E+02 -0.12509E-04 -0.21776E-06 412 0.857E-03 0.269E-03
DAV: 23 -0.902661678121E+02 -0.11801E-04 -0.26720E-06 433 0.987E-03 0.163E-03
DAV: 24 -0.902661684549E+02 -0.64282E-06 -0.69275E-07 544 0.467E-03
1 F= -.90266168E+02 E0= -.90271028E+02 d E =0.145776E-01