iterations/neb0_image05_iter145_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 0.365747268445E+03 0.36575E+03 -0.14335E+04 640 0.799E+02
DAV: 2 0.230926721489E+01 -0.36344E+03 -0.35017E+03 863 0.192E+02
DAV: 3 -0.946268519192E+02 -0.96936E+02 -0.96572E+02 629 0.115E+02
DAV: 4 -0.993713130244E+02 -0.47445E+01 -0.47315E+01 736 0.299E+01
DAV: 5 -0.994706867287E+02 -0.99374E-01 -0.99340E-01 736 0.383E+00 0.220E+01
DAV: 6 -0.909630440668E+02 0.85076E+01 -0.30277E+01 677 0.298E+01 0.115E+01
DAV: 7 -0.901807144219E+02 0.78233E+00 -0.18485E+00 728 0.657E+00 0.477E+00
DAV: 8 -0.898073672195E+02 0.37335E+00 -0.50751E-01 712 0.444E+00 0.181E+00
DAV: 9 -0.897151043226E+02 0.92263E-01 -0.14340E-01 733 0.210E+00 0.553E-01
DAV: 10 -0.897018469531E+02 0.13257E-01 -0.36922E-02 728 0.101E+00 0.344E-01
DAV: 11 -0.897025123709E+02 -0.66542E-03 -0.12594E-02 728 0.611E-01 0.238E-01
DAV: 12 -0.897044154646E+02 -0.19031E-02 -0.35947E-03 666 0.503E-01 0.125E-01
DAV: 13 -0.897073577162E+02 -0.29423E-02 -0.19940E-03 617 0.297E-01 0.980E-02
DAV: 14 -0.897118903800E+02 -0.45327E-02 -0.22003E-03 617 0.269E-01 0.515E-02
DAV: 15 -0.897134250110E+02 -0.15346E-02 -0.29556E-04 712 0.964E-02 0.451E-02
DAV: 16 -0.897161249657E+02 -0.27000E-02 -0.86684E-04 773 0.204E-01 0.390E-02
DAV: 17 -0.897167807834E+02 -0.65582E-03 -0.14191E-04 712 0.800E-02 0.318E-02
DAV: 18 -0.897175817906E+02 -0.80101E-03 -0.17575E-04 772 0.729E-02 0.123E-02
DAV: 19 -0.897179430103E+02 -0.36122E-03 -0.38524E-05 672 0.342E-02 0.763E-03
DAV: 20 -0.897181406601E+02 -0.19765E-03 -0.21815E-05 522 0.219E-02 0.792E-03
DAV: 21 -0.897182081618E+02 -0.67502E-04 -0.54095E-06 461 0.130E-02 0.513E-03
DAV: 22 -0.897182434949E+02 -0.35333E-04 -0.14049E-05 454 0.223E-02 0.402E-03
DAV: 23 -0.897182497937E+02 -0.62988E-05 -0.25386E-06 480 0.847E-03
1 F= -.89718250E+02 E0= -.89727221E+02 d E =0.269143E-01