./iterations/neb0_image05_iter20_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 0.359475903344E+03 0.35948E+03 -0.14234E+04 632 0.799E+02
DAV: 2 0.483054845194E+01 -0.35465E+03 -0.34270E+03 861 0.192E+02
DAV: 3 -0.919172135529E+02 -0.96748E+02 -0.96227E+02 661 0.114E+02
DAV: 4 -0.967113015924E+02 -0.47941E+01 -0.47758E+01 728 0.288E+01
DAV: 5 -0.968156214564E+02 -0.10432E+00 -0.10426E+00 712 0.377E+00 0.210E+01
DAV: 6 -0.887249471298E+02 0.80907E+01 -0.30650E+01 712 0.299E+01 0.108E+01
DAV: 7 -0.880360137475E+02 0.68893E+00 -0.15476E+00 728 0.688E+00 0.469E+00
DAV: 8 -0.877003911224E+02 0.33562E+00 -0.66688E-01 704 0.448E+00 0.168E+00
DAV: 9 -0.876245173718E+02 0.75874E-01 -0.14347E-01 720 0.196E+00 0.497E-01
DAV: 10 -0.876169475813E+02 0.75698E-02 -0.18902E-02 760 0.805E-01 0.296E-01
DAV: 11 -0.876187462833E+02 -0.17987E-02 -0.18016E-02 618 0.838E-01 0.190E-01
DAV: 12 -0.876202193428E+02 -0.14731E-02 -0.37785E-03 706 0.473E-01 0.105E-01
DAV: 13 -0.876245658359E+02 -0.43465E-02 -0.41301E-03 625 0.349E-01 0.106E-01
DAV: 14 -0.876270695749E+02 -0.25037E-02 -0.12394E-03 805 0.220E-01 0.512E-02
DAV: 15 -0.876293851548E+02 -0.23156E-02 -0.11738E-03 717 0.226E-01 0.576E-02
DAV: 16 -0.876305983167E+02 -0.12132E-02 -0.36721E-04 877 0.143E-01 0.296E-02
DAV: 17 -0.876309979498E+02 -0.39963E-03 -0.15771E-04 720 0.737E-02 0.151E-02
DAV: 18 -0.876316784621E+02 -0.68051E-03 -0.79912E-05 633 0.480E-02 0.774E-03
DAV: 19 -0.876320093968E+02 -0.33093E-03 -0.29171E-05 597 0.244E-02 0.674E-03
DAV: 20 -0.876321504173E+02 -0.14102E-03 -0.13062E-05 477 0.199E-02 0.229E-03
DAV: 21 -0.876322059788E+02 -0.55561E-04 -0.12143E-05 471 0.171E-02 0.460E-03
DAV: 22 -0.876322171542E+02 -0.11175E-04 -0.19174E-06 496 0.961E-03 0.276E-03
DAV: 23 -0.876322251598E+02 -0.80056E-05 -0.46855E-06 411 0.136E-02
1 F= -.87632225E+02 E0= -.87636106E+02 d E =0.116413E-01