iterations/neb0_image04_iter230_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 0.368179495419E+03 0.36818E+03 -0.14293E+04 624 0.799E+02
DAV: 2 0.157256016083E+01 -0.36661E+03 -0.35498E+03 869 0.195E+02
DAV: 3 -0.960254716548E+02 -0.97598E+02 -0.97308E+02 661 0.116E+02
DAV: 4 -0.100303785074E+03 -0.42783E+01 -0.42692E+01 704 0.279E+01
DAV: 5 -0.100387311398E+03 -0.83526E-01 -0.83491E-01 736 0.349E+00 0.224E+01
DAV: 6 -0.916773904809E+02 0.87099E+01 -0.31171E+01 682 0.299E+01 0.117E+01
DAV: 7 -0.908129940698E+02 0.86440E+00 -0.17852E+00 712 0.652E+00 0.484E+00
DAV: 8 -0.903992415409E+02 0.41375E+00 -0.55000E-01 696 0.450E+00 0.176E+00
DAV: 9 -0.903075561818E+02 0.91685E-01 -0.15852E-01 728 0.200E+00 0.543E-01
DAV: 10 -0.902949226865E+02 0.12633E-01 -0.35026E-02 712 0.994E-01 0.342E-01
DAV: 11 -0.902965608176E+02 -0.16381E-02 -0.10597E-02 712 0.517E-01 0.198E-01
DAV: 12 -0.903000426490E+02 -0.34818E-02 -0.33004E-03 621 0.366E-01 0.123E-01
DAV: 13 -0.903032505475E+02 -0.32079E-02 -0.12665E-03 625 0.272E-01 0.105E-01
DAV: 14 -0.903071772412E+02 -0.39267E-02 -0.25718E-03 745 0.316E-01 0.642E-02
DAV: 15 -0.903085171954E+02 -0.13400E-02 -0.29897E-04 704 0.126E-01 0.420E-02
DAV: 16 -0.903115123327E+02 -0.29951E-02 -0.13233E-03 732 0.227E-01 0.524E-02
DAV: 17 -0.903118751793E+02 -0.36285E-03 -0.17194E-04 752 0.973E-02 0.350E-02
DAV: 18 -0.903124965127E+02 -0.62133E-03 -0.22577E-04 711 0.862E-02 0.104E-02
DAV: 19 -0.903129866992E+02 -0.49019E-03 -0.77170E-05 698 0.459E-02 0.125E-02
DAV: 20 -0.903131789480E+02 -0.19225E-03 -0.13505E-05 471 0.153E-02 0.111E-02
DAV: 21 -0.903132685652E+02 -0.89617E-04 -0.23827E-05 509 0.300E-02 0.228E-03
DAV: 22 -0.903132955708E+02 -0.27006E-04 -0.97371E-06 479 0.168E-02 0.434E-03
DAV: 23 -0.903133028653E+02 -0.72946E-05 -0.19338E-06 461 0.658E-03
1 F= -.90313303E+02 E0= -.90321579E+02 d E =0.248284E-01