./iterations/neb0_image02_iter73_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 0.365269593482E+03 0.36527E+03 -0.14330E+04 632 0.799E+02
DAV: 2 0.410750793411E+01 -0.36116E+03 -0.34647E+03 834 0.195E+02
DAV: 3 -0.957112555951E+02 -0.99819E+02 -0.99487E+02 685 0.116E+02
DAV: 4 -0.100188280765E+03 -0.44770E+01 -0.44666E+01 696 0.278E+01
DAV: 5 -0.100274839114E+03 -0.86558E-01 -0.86515E-01 736 0.347E+00 0.222E+01
DAV: 6 -0.916511895167E+02 0.86236E+01 -0.31022E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908285905938E+02 0.82260E+00 -0.18390E+00 704 0.634E+00 0.484E+00
DAV: 8 -0.904409044695E+02 0.38769E+00 -0.55852E-01 696 0.427E+00 0.169E+00
DAV: 9 -0.903497081707E+02 0.91196E-01 -0.14003E-01 704 0.166E+00 0.432E-01
DAV: 10 -0.903431848834E+02 0.65233E-02 -0.47503E-02 704 0.127E+00 0.322E-01
DAV: 11 -0.903469356602E+02 -0.37508E-02 -0.73009E-03 608 0.488E-01 0.144E-01
DAV: 12 -0.903503803351E+02 -0.34447E-02 -0.71177E-03 615 0.464E-01 0.132E-01
DAV: 13 -0.903530483627E+02 -0.26680E-02 -0.14804E-03 920 0.328E-01 0.785E-02
DAV: 14 -0.903561867521E+02 -0.31384E-02 -0.13754E-03 637 0.178E-01 0.568E-02
DAV: 15 -0.903585563925E+02 -0.23696E-02 -0.39750E-04 677 0.112E-01 0.428E-02
DAV: 16 -0.903599901031E+02 -0.14337E-02 -0.64529E-04 656 0.142E-01 0.328E-02
DAV: 17 -0.903608577228E+02 -0.86762E-03 -0.18754E-04 834 0.943E-02 0.175E-02
DAV: 18 -0.903609978035E+02 -0.14008E-03 -0.36486E-05 720 0.327E-02 0.977E-03
DAV: 19 -0.903611894435E+02 -0.19164E-03 -0.32734E-05 545 0.284E-02 0.407E-03
DAV: 20 -0.903612273447E+02 -0.37901E-04 -0.32293E-06 477 0.946E-03 0.447E-03
DAV: 21 -0.903612761462E+02 -0.48802E-04 -0.67237E-06 400 0.145E-02 0.197E-03
DAV: 22 -0.903612865054E+02 -0.10359E-04 -0.36468E-06 477 0.885E-03 0.226E-03
DAV: 23 -0.903612879210E+02 -0.14156E-05 -0.58658E-07 544 0.464E-03
1 F= -.90361288E+02 E0= -.90366942E+02 d E =0.169615E-01