./iterations/neb0_image04_iter202_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 0.365812715136E+03 0.36581E+03 -0.14325E+04 632 0.799E+02
DAV: 2 0.188813659671E+01 -0.36392E+03 -0.35122E+03 861 0.194E+02
DAV: 3 -0.959653617887E+02 -0.97853E+02 -0.97553E+02 661 0.116E+02
DAV: 4 -0.100291472230E+03 -0.43261E+01 -0.43174E+01 720 0.281E+01
DAV: 5 -0.100374872499E+03 -0.83400E-01 -0.83374E-01 720 0.351E+00 0.223E+01
DAV: 6 -0.916652574315E+02 0.87096E+01 -0.31137E+01 690 0.298E+01 0.117E+01
DAV: 7 -0.907998212894E+02 0.86544E+00 -0.17871E+00 704 0.634E+00 0.483E+00
DAV: 8 -0.903883222901E+02 0.41150E+00 -0.56777E-01 704 0.433E+00 0.167E+00
DAV: 9 -0.902955129733E+02 0.92809E-01 -0.12419E-01 720 0.200E+00 0.497E-01
DAV: 10 -0.902847198121E+02 0.10793E-01 -0.35874E-02 712 0.956E-01 0.358E-01
DAV: 11 -0.902871310395E+02 -0.24112E-02 -0.12425E-02 688 0.820E-01 0.290E-01
DAV: 12 -0.902879530993E+02 -0.82206E-03 -0.45159E-03 760 0.627E-01 0.119E-01
DAV: 13 -0.902923036559E+02 -0.43506E-02 -0.33274E-03 628 0.311E-01 0.993E-02
DAV: 14 -0.902957767586E+02 -0.34731E-02 -0.78295E-04 640 0.175E-01 0.508E-02
DAV: 15 -0.902991122522E+02 -0.33355E-02 -0.70471E-04 653 0.140E-01 0.318E-02
DAV: 16 -0.903010605529E+02 -0.19483E-02 -0.23061E-04 680 0.959E-02 0.170E-02
DAV: 17 -0.903022767255E+02 -0.12162E-02 -0.17212E-04 658 0.615E-02 0.199E-02
DAV: 18 -0.903027075113E+02 -0.43079E-03 -0.92850E-05 736 0.695E-02 0.111E-02
DAV: 19 -0.903028589131E+02 -0.15140E-03 -0.31974E-05 599 0.283E-02 0.114E-02
DAV: 20 -0.903029008611E+02 -0.41948E-04 -0.64978E-06 520 0.181E-02 0.669E-03
DAV: 21 -0.903029891754E+02 -0.88314E-04 -0.31442E-05 529 0.318E-02 0.706E-03
DAV: 22 -0.903030003036E+02 -0.11128E-04 -0.32092E-06 488 0.149E-02 0.445E-03
DAV: 23 -0.903030073127E+02 -0.70091E-05 -0.54086E-06 436 0.126E-02
1 F= -.90303007E+02 E0= -.90311513E+02 d E =0.255171E-01