./iterations/neb0_image07_iter83_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 0.377316824439E+03 0.37732E+03 -0.14279E+04 624 0.799E+02
DAV: 2 0.355990316730E+01 -0.37376E+03 -0.36162E+03 877 0.196E+02
DAV: 3 -0.964612725532E+02 -0.10002E+03 -0.99696E+02 672 0.117E+02
DAV: 4 -0.100893426912E+03 -0.44322E+01 -0.44217E+01 696 0.283E+01
DAV: 5 -0.100981392343E+03 -0.87965E-01 -0.87927E-01 728 0.358E+00 0.227E+01
DAV: 6 -0.923618996880E+02 0.86195E+01 -0.30707E+01 709 0.303E+01 0.119E+01
DAV: 7 -0.914916684806E+02 0.87023E+00 -0.16700E+00 720 0.615E+00 0.482E+00
DAV: 8 -0.911086410435E+02 0.38303E+00 -0.56542E-01 704 0.406E+00 0.163E+00
DAV: 9 -0.910241887629E+02 0.84452E-01 -0.13268E-01 712 0.156E+00 0.428E-01
DAV: 10 -0.910145484045E+02 0.96404E-02 -0.47579E-02 717 0.111E+00 0.308E-01
DAV: 11 -0.910191130061E+02 -0.45646E-02 -0.12038E-02 608 0.575E-01 0.138E-01
DAV: 12 -0.910223493023E+02 -0.32363E-02 -0.37673E-03 627 0.286E-01 0.150E-01
DAV: 13 -0.910259804878E+02 -0.36312E-02 -0.28002E-03 725 0.331E-01 0.552E-02
DAV: 14 -0.910285278189E+02 -0.25473E-02 -0.64321E-04 661 0.120E-01 0.594E-02
DAV: 15 -0.910310828064E+02 -0.25550E-02 -0.28885E-04 645 0.833E-02 0.355E-02
DAV: 16 -0.910323124752E+02 -0.12297E-02 -0.43293E-04 677 0.103E-01 0.292E-02
DAV: 17 -0.910328596007E+02 -0.54713E-03 -0.11678E-04 656 0.677E-02 0.108E-02
DAV: 18 -0.910330181728E+02 -0.15857E-03 -0.27438E-05 600 0.260E-02 0.722E-03
DAV: 19 -0.910330882595E+02 -0.70087E-04 -0.10392E-05 440 0.213E-02 0.237E-03
DAV: 20 -0.910331344875E+02 -0.46228E-04 -0.87572E-06 428 0.150E-02 0.411E-03
DAV: 21 -0.910331443989E+02 -0.99114E-05 -0.12369E-06 496 0.740E-03
1 F= -.91033144E+02 E0= -.91038151E+02 d E =0.150185E-01