./iterations/neb0_image07_iter125_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 0.375912750813E+03 0.37591E+03 -0.14276E+04 624 0.799E+02
DAV: 2 0.329954547638E+01 -0.37261E+03 -0.36005E+03 877 0.196E+02
DAV: 3 -0.963945210166E+02 -0.99694E+02 -0.99365E+02 661 0.117E+02
DAV: 4 -0.100990453885E+03 -0.45959E+01 -0.45841E+01 704 0.286E+01
DAV: 5 -0.101083727069E+03 -0.93273E-01 -0.93236E-01 720 0.366E+00 0.226E+01
DAV: 6 -0.924965508592E+02 0.85872E+01 -0.30716E+01 717 0.302E+01 0.118E+01
DAV: 7 -0.916422745572E+02 0.85428E+00 -0.16616E+00 720 0.612E+00 0.480E+00
DAV: 8 -0.912636879258E+02 0.37859E+00 -0.55604E-01 712 0.402E+00 0.163E+00
DAV: 9 -0.911805378241E+02 0.83150E-01 -0.13021E-01 712 0.155E+00 0.425E-01
DAV: 10 -0.911709764536E+02 0.95614E-02 -0.47490E-02 741 0.111E+00 0.308E-01
DAV: 11 -0.911760816335E+02 -0.51052E-02 -0.14427E-02 616 0.628E-01 0.162E-01
DAV: 12 -0.911787018729E+02 -0.26202E-02 -0.30354E-03 647 0.244E-01 0.141E-01
DAV: 13 -0.911826782723E+02 -0.39764E-02 -0.32127E-03 698 0.328E-01 0.603E-02
DAV: 14 -0.911850520952E+02 -0.23738E-02 -0.45018E-04 688 0.110E-01 0.510E-02
DAV: 15 -0.911876104356E+02 -0.25583E-02 -0.32842E-04 629 0.831E-02 0.282E-02
DAV: 16 -0.911885230138E+02 -0.91258E-03 -0.23989E-04 688 0.744E-02 0.230E-02
DAV: 17 -0.911891000426E+02 -0.57703E-03 -0.85471E-05 634 0.515E-02 0.985E-03
DAV: 18 -0.911892437702E+02 -0.14373E-03 -0.16167E-05 480 0.212E-02 0.625E-03
DAV: 19 -0.911892944537E+02 -0.50684E-04 -0.89375E-06 472 0.185E-02 0.281E-03
DAV: 20 -0.911893341633E+02 -0.39710E-04 -0.42687E-06 415 0.997E-03 0.232E-03
DAV: 21 -0.911893516963E+02 -0.17533E-04 -0.24081E-06 445 0.592E-03 0.181E-03
DAV: 22 -0.911893554982E+02 -0.38019E-05 -0.10940E-06 496 0.637E-03
1 F= -.91189355E+02 E0= -.91194433E+02 d E =0.152313E-01