iterations/neb0_image07_iter121_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 0.376286478093E+03 0.37629E+03 -0.14278E+04 624 0.799E+02
DAV: 2 0.406617037165E+01 -0.37222E+03 -0.35862E+03 869 0.196E+02
DAV: 3 -0.962801228091E+02 -0.10035E+03 -0.10001E+03 656 0.117E+02
DAV: 4 -0.100994437126E+03 -0.47143E+01 -0.47023E+01 696 0.292E+01
DAV: 5 -0.101089550648E+03 -0.95114E-01 -0.95068E-01 728 0.374E+00 0.227E+01
DAV: 6 -0.924822335051E+02 0.86073E+01 -0.30681E+01 712 0.302E+01 0.119E+01
DAV: 7 -0.916226086650E+02 0.85962E+00 -0.16743E+00 728 0.613E+00 0.480E+00
DAV: 8 -0.912438187598E+02 0.37879E+00 -0.55642E-01 712 0.402E+00 0.163E+00
DAV: 9 -0.911603319819E+02 0.83487E-01 -0.13105E-01 720 0.155E+00 0.425E-01
DAV: 10 -0.911508699076E+02 0.94621E-02 -0.47326E-02 741 0.111E+00 0.308E-01
DAV: 11 -0.911559503080E+02 -0.50804E-02 -0.14354E-02 616 0.627E-01 0.160E-01
DAV: 12 -0.911586203474E+02 -0.26700E-02 -0.30649E-03 647 0.244E-01 0.144E-01
DAV: 13 -0.911626692334E+02 -0.40489E-02 -0.34054E-03 658 0.341E-01 0.623E-02
DAV: 14 -0.911650900829E+02 -0.24208E-02 -0.49546E-04 672 0.114E-01 0.558E-02
DAV: 15 -0.911676009759E+02 -0.25109E-02 -0.35749E-04 629 0.908E-02 0.277E-02
DAV: 16 -0.911684564440E+02 -0.85547E-03 -0.24399E-04 688 0.758E-02 0.254E-02
DAV: 17 -0.911689960021E+02 -0.53956E-03 -0.89006E-05 634 0.556E-02 0.106E-02
DAV: 18 -0.911691411204E+02 -0.14512E-03 -0.16241E-05 496 0.223E-02 0.682E-03
DAV: 19 -0.911692002842E+02 -0.59164E-04 -0.12036E-05 448 0.203E-02 0.260E-03
DAV: 20 -0.911692421917E+02 -0.41908E-04 -0.45144E-06 431 0.984E-03 0.273E-03
DAV: 21 -0.911692592878E+02 -0.17096E-04 -0.21432E-06 445 0.743E-03 0.141E-03
DAV: 22 -0.911692645447E+02 -0.52570E-05 -0.17936E-06 445 0.712E-03
1 F= -.91169265E+02 E0= -.91174669E+02 d E =0.162124E-01