./iterations/neb0_image08_iter34_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 0.376843072636E+03 0.37684E+03 -0.14284E+04 624 0.799E+02
DAV: 2 0.381589303852E+01 -0.37303E+03 -0.35921E+03 869 0.196E+02
DAV: 3 -0.964080484358E+02 -0.10022E+03 -0.99896E+02 664 0.117E+02
DAV: 4 -0.100992307792E+03 -0.45843E+01 -0.45732E+01 712 0.288E+01
DAV: 5 -0.101081978602E+03 -0.89671E-01 -0.89636E-01 736 0.364E+00 0.228E+01
DAV: 6 -0.924358139707E+02 0.86462E+01 -0.30709E+01 682 0.304E+01 0.119E+01
DAV: 7 -0.915746350994E+02 0.86118E+00 -0.16638E+00 728 0.613E+00 0.480E+00
DAV: 8 -0.911997665342E+02 0.37487E+00 -0.53614E-01 712 0.396E+00 0.162E+00
DAV: 9 -0.911171897394E+02 0.82577E-01 -0.12974E-01 720 0.156E+00 0.419E-01
DAV: 10 -0.911080414199E+02 0.91483E-02 -0.44723E-02 776 0.111E+00 0.303E-01
DAV: 11 -0.911123446639E+02 -0.43032E-02 -0.11574E-02 608 0.575E-01 0.131E-01
DAV: 12 -0.911152606465E+02 -0.29160E-02 -0.25055E-03 631 0.231E-01 0.117E-01
DAV: 13 -0.911193850272E+02 -0.41244E-02 -0.20272E-03 653 0.248E-01 0.463E-02
DAV: 14 -0.911219786522E+02 -0.25936E-02 -0.38058E-04 677 0.114E-01 0.287E-02
DAV: 15 -0.911245511543E+02 -0.25725E-02 -0.27102E-04 634 0.679E-02 0.268E-02
DAV: 16 -0.911254148339E+02 -0.86368E-03 -0.11265E-04 680 0.534E-02 0.882E-03
DAV: 17 -0.911260698605E+02 -0.65503E-03 -0.64510E-05 567 0.311E-02 0.117E-02
DAV: 18 -0.911262442044E+02 -0.17434E-03 -0.16697E-05 536 0.188E-02 0.573E-03
DAV: 19 -0.911263030086E+02 -0.58804E-04 -0.12600E-05 448 0.167E-02 0.295E-03
DAV: 20 -0.911263224397E+02 -0.19431E-04 -0.26670E-06 439 0.101E-02 0.152E-03
DAV: 21 -0.911263325337E+02 -0.10094E-04 -0.20079E-06 425 0.574E-03 0.159E-03
DAV: 22 -0.911263331082E+02 -0.57444E-06 -0.38503E-07 528 0.433E-03
1 F= -.91126333E+02 E0= -.91131837E+02 d E =0.165121E-01