./iterations/neb0_image05_iter262_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 0.367853407032E+03 0.36785E+03 -0.14307E+04 624 0.799E+02
DAV: 2 0.376256968500E+01 -0.36409E+03 -0.35023E+03 853 0.196E+02
DAV: 3 -0.955054589979E+02 -0.99268E+02 -0.98924E+02 656 0.116E+02
DAV: 4 -0.100200849523E+03 -0.46954E+01 -0.46849E+01 712 0.295E+01
DAV: 5 -0.100292018074E+03 -0.91169E-01 -0.91126E-01 736 0.370E+00 0.222E+01
DAV: 6 -0.916358187054E+02 0.86562E+01 -0.31219E+01 704 0.300E+01 0.117E+01
DAV: 7 -0.908066992356E+02 0.82912E+00 -0.17762E+00 712 0.625E+00 0.483E+00
DAV: 8 -0.904279367033E+02 0.37876E+00 -0.55519E-01 736 0.429E+00 0.166E+00
DAV: 9 -0.903418600932E+02 0.86077E-01 -0.12821E-01 720 0.168E+00 0.431E-01
DAV: 10 -0.903348320681E+02 0.70280E-02 -0.45658E-02 728 0.120E+00 0.320E-01
DAV: 11 -0.903386996976E+02 -0.38676E-02 -0.87480E-03 608 0.611E-01 0.121E-01
DAV: 12 -0.903410837553E+02 -0.23841E-02 -0.60819E-03 624 0.390E-01 0.135E-01
DAV: 13 -0.903438658102E+02 -0.27821E-02 -0.23360E-03 880 0.351E-01 0.823E-02
DAV: 14 -0.903478759693E+02 -0.40102E-02 -0.15935E-03 627 0.177E-01 0.721E-02
DAV: 15 -0.903498782197E+02 -0.20023E-02 -0.32414E-04 832 0.118E-01 0.402E-02
DAV: 16 -0.903520728861E+02 -0.21947E-02 -0.11546E-03 647 0.202E-01 0.521E-02
DAV: 17 -0.903524504096E+02 -0.37752E-03 -0.14810E-04 744 0.818E-02 0.368E-02
DAV: 18 -0.903526311929E+02 -0.18078E-03 -0.56302E-05 632 0.421E-02 0.221E-02
DAV: 19 -0.903529863186E+02 -0.35513E-03 -0.15090E-04 649 0.729E-02 0.112E-02
DAV: 20 -0.903530337850E+02 -0.47466E-04 -0.17405E-05 576 0.309E-02 0.845E-03
DAV: 21 -0.903530753981E+02 -0.41613E-04 -0.11915E-05 392 0.194E-02 0.566E-03
DAV: 22 -0.903530924599E+02 -0.17062E-04 -0.33816E-06 480 0.928E-03 0.397E-03
DAV: 23 -0.903530966824E+02 -0.42225E-05 -0.38354E-06 428 0.112E-02
1 F= -.90353097E+02 E0= -.90357885E+02 d E =0.143654E-01