iterations/neb0_image04_iter103_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 0.370130945917E+03 0.37013E+03 -0.14312E+04 632 0.799E+02
DAV: 2 0.385641718301E+01 -0.36627E+03 -0.35427E+03 858 0.195E+02
DAV: 3 -0.952619834381E+02 -0.99118E+02 -0.98798E+02 661 0.116E+02
DAV: 4 -0.998122742935E+02 -0.45503E+01 -0.45397E+01 696 0.289E+01
DAV: 5 -0.999015469903E+02 -0.89273E-01 -0.89232E-01 720 0.366E+00 0.221E+01
DAV: 6 -0.914122716627E+02 0.84893E+01 -0.29928E+01 693 0.294E+01 0.116E+01
DAV: 7 -0.905600244232E+02 0.85225E+00 -0.17218E+00 712 0.625E+00 0.479E+00
DAV: 8 -0.901619642823E+02 0.39806E+00 -0.55784E-01 728 0.422E+00 0.163E+00
DAV: 9 -0.900676506348E+02 0.94314E-01 -0.13167E-01 720 0.175E+00 0.437E-01
DAV: 10 -0.900582541645E+02 0.93965E-02 -0.59731E-02 704 0.140E+00 0.355E-01
DAV: 11 -0.900623408512E+02 -0.40867E-02 -0.14305E-02 616 0.711E-01 0.141E-01
DAV: 12 -0.900644021513E+02 -0.20613E-02 -0.52643E-03 650 0.326E-01 0.141E-01
DAV: 13 -0.900676752083E+02 -0.32731E-02 -0.20944E-03 837 0.365E-01 0.782E-02
DAV: 14 -0.900715057455E+02 -0.38305E-02 -0.14580E-03 658 0.191E-01 0.658E-02
DAV: 15 -0.900738787760E+02 -0.23730E-02 -0.32219E-04 730 0.110E-01 0.433E-02
DAV: 16 -0.900755396040E+02 -0.16608E-02 -0.69033E-04 674 0.147E-01 0.328E-02
DAV: 17 -0.900764975805E+02 -0.95798E-03 -0.20860E-04 847 0.981E-02 0.142E-02
DAV: 18 -0.900768449355E+02 -0.34735E-03 -0.54367E-05 605 0.342E-02 0.836E-03
DAV: 19 -0.900770124872E+02 -0.16755E-03 -0.23387E-05 503 0.212E-02 0.379E-03
DAV: 20 -0.900770683232E+02 -0.55836E-04 -0.64994E-06 474 0.107E-02 0.297E-03
DAV: 21 -0.900770797120E+02 -0.11389E-04 -0.24915E-06 472 0.741E-03 0.196E-03
DAV: 22 -0.900770847386E+02 -0.50266E-05 -0.97259E-07 433 0.519E-03
1 F= -.90077085E+02 E0= -.90081202E+02 d E =0.123511E-01