iterations/neb0_image04_iter165_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 0.363827380925E+03 0.36383E+03 -0.14356E+04 640 0.799E+02
DAV: 2 0.755543615917E+00 -0.36307E+03 -0.35022E+03 874 0.194E+02
DAV: 3 -0.959914843747E+02 -0.96747E+02 -0.96438E+02 666 0.115E+02
DAV: 4 -0.100213538932E+03 -0.42221E+01 -0.42125E+01 704 0.277E+01
DAV: 5 -0.100292911395E+03 -0.79372E-01 -0.79341E-01 728 0.346E+00 0.223E+01
DAV: 6 -0.915961690974E+02 0.86967E+01 -0.30989E+01 682 0.297E+01 0.116E+01
DAV: 7 -0.907363599568E+02 0.85981E+00 -0.17895E+00 712 0.630E+00 0.484E+00
DAV: 8 -0.903280843770E+02 0.40828E+00 -0.56504E-01 704 0.426E+00 0.162E+00
DAV: 9 -0.902332168205E+02 0.94868E-01 -0.13350E-01 720 0.168E+00 0.438E-01
DAV: 10 -0.902241999901E+02 0.90168E-02 -0.48852E-02 709 0.115E+00 0.344E-01
DAV: 11 -0.902292648449E+02 -0.50649E-02 -0.11159E-02 680 0.716E-01 0.144E-01
DAV: 12 -0.902312372428E+02 -0.19724E-02 -0.39282E-03 631 0.308E-01 0.135E-01
DAV: 13 -0.902346168470E+02 -0.33796E-02 -0.26949E-03 624 0.335E-01 0.732E-02
DAV: 14 -0.902387289872E+02 -0.41121E-02 -0.10536E-03 641 0.152E-01 0.555E-02
DAV: 15 -0.902411682723E+02 -0.24393E-02 -0.42684E-04 672 0.116E-01 0.233E-02
DAV: 16 -0.902427977770E+02 -0.16295E-02 -0.25049E-04 663 0.773E-02 0.233E-02
DAV: 17 -0.902435930779E+02 -0.79530E-03 -0.10760E-04 671 0.579E-02 0.155E-02
DAV: 18 -0.902437871357E+02 -0.19406E-03 -0.42450E-05 688 0.355E-02 0.787E-03
DAV: 19 -0.902439141661E+02 -0.12703E-03 -0.16069E-05 452 0.247E-02 0.319E-03
DAV: 20 -0.902440083599E+02 -0.94194E-04 -0.12619E-05 444 0.148E-02 0.346E-03
DAV: 21 -0.902440428694E+02 -0.34509E-04 -0.38725E-06 488 0.111E-02 0.231E-03
DAV: 22 -0.902440552779E+02 -0.12408E-04 -0.38110E-06 430 0.980E-03 0.275E-03
DAV: 23 -0.902440572276E+02 -0.19497E-05 -0.81760E-07 496 0.678E-03
1 F= -.90244057E+02 E0= -.90253087E+02 d E =0.270900E-01