iterations/neb0_image01_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 0.366381583997E+03 0.36638E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.335602595535E+01 -0.36303E+03 -0.34980E+03 839 0.195E+02
DAV: 3 -0.957093065512E+02 -0.99065E+02 -0.98721E+02 677 0.116E+02
DAV: 4 -0.100218200313E+03 -0.45089E+01 -0.44991E+01 696 0.282E+01
DAV: 5 -0.100308245601E+03 -0.90045E-01 -0.89997E-01 744 0.355E+00 0.222E+01
DAV: 6 -0.916849931784E+02 0.86233E+01 -0.31113E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908749683043E+02 0.81002E+00 -0.18237E+00 720 0.637E+00 0.484E+00
DAV: 8 -0.904955623327E+02 0.37941E+00 -0.55774E-01 712 0.429E+00 0.167E+00
DAV: 9 -0.904119912205E+02 0.83571E-01 -0.13565E-01 712 0.164E+00 0.426E-01
DAV: 10 -0.904068892119E+02 0.51020E-02 -0.45170E-02 720 0.123E+00 0.314E-01
DAV: 11 -0.904108096483E+02 -0.39204E-02 -0.65631E-03 608 0.484E-01 0.137E-01
DAV: 12 -0.904143881435E+02 -0.35785E-02 -0.68617E-03 626 0.482E-01 0.128E-01
DAV: 13 -0.904170194033E+02 -0.26313E-02 -0.14689E-03 848 0.309E-01 0.740E-02
DAV: 14 -0.904199911349E+02 -0.29717E-02 -0.13475E-03 642 0.173E-01 0.578E-02
DAV: 15 -0.904219910451E+02 -0.19999E-02 -0.36621E-04 672 0.115E-01 0.453E-02
DAV: 16 -0.904233742875E+02 -0.13832E-02 -0.77958E-04 653 0.165E-01 0.356E-02
DAV: 17 -0.904241426306E+02 -0.76834E-03 -0.16077E-04 797 0.924E-02 0.221E-02
DAV: 18 -0.904243267959E+02 -0.18417E-03 -0.52517E-05 688 0.357E-02 0.123E-02
DAV: 19 -0.904245436458E+02 -0.21685E-03 -0.59439E-05 630 0.391E-02 0.686E-03
DAV: 20 -0.904245585335E+02 -0.14888E-04 -0.44174E-06 504 0.138E-02 0.677E-03
DAV: 21 -0.904245952389E+02 -0.36705E-04 -0.67152E-06 409 0.157E-02 0.452E-03
DAV: 22 -0.904246111394E+02 -0.15901E-04 -0.40397E-06 480 0.128E-02 0.244E-03
DAV: 23 -0.904246131239E+02 -0.19845E-05 -0.25971E-06 528 0.930E-03
1 F= -.90424613E+02 E0= -.90429758E+02 d E =0.154353E-01