./iterations/neb0_image06_iter263_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 0.373447515014E+03 0.37345E+03 -0.14314E+04 632 0.799E+02
DAV: 2 0.522184273564E+01 -0.36823E+03 -0.35591E+03 858 0.194E+02
DAV: 3 -0.950372802868E+02 -0.10026E+03 -0.99868E+02 680 0.117E+02
DAV: 4 -0.996892653977E+02 -0.46520E+01 -0.46382E+01 728 0.282E+01
DAV: 5 -0.997860436936E+02 -0.96778E-01 -0.96735E-01 728 0.359E+00 0.224E+01
DAV: 6 -0.912835942087E+02 0.85024E+01 -0.30078E+01 688 0.304E+01 0.117E+01
DAV: 7 -0.904782312201E+02 0.80536E+00 -0.17383E+00 712 0.638E+00 0.480E+00
DAV: 8 -0.901063831156E+02 0.37185E+00 -0.54567E-01 704 0.412E+00 0.169E+00
DAV: 9 -0.900146654976E+02 0.91718E-01 -0.13014E-01 712 0.165E+00 0.434E-01
DAV: 10 -0.900049166659E+02 0.97488E-02 -0.33570E-02 741 0.907E-01 0.288E-01
DAV: 11 -0.900091125502E+02 -0.41959E-02 -0.13130E-02 608 0.665E-01 0.194E-01
DAV: 12 -0.900100071768E+02 -0.89463E-03 -0.38981E-03 685 0.400E-01 0.989E-02
DAV: 13 -0.900147039327E+02 -0.46968E-02 -0.37693E-03 614 0.353E-01 0.965E-02
DAV: 14 -0.900162545570E+02 -0.15506E-02 -0.49433E-04 800 0.181E-01 0.529E-02
DAV: 15 -0.900194955412E+02 -0.32410E-02 -0.12188E-03 619 0.208E-01 0.443E-02
DAV: 16 -0.900213236410E+02 -0.18281E-02 -0.31540E-04 925 0.130E-01 0.220E-02
DAV: 17 -0.900222395547E+02 -0.91591E-03 -0.14355E-04 677 0.560E-02 0.131E-02
DAV: 18 -0.900227410576E+02 -0.50150E-03 -0.60752E-05 583 0.328E-02 0.126E-02
DAV: 19 -0.900228708554E+02 -0.12980E-03 -0.13204E-05 520 0.302E-02 0.550E-03
DAV: 20 -0.900229518201E+02 -0.80965E-04 -0.29038E-05 489 0.278E-02 0.615E-03
DAV: 21 -0.900229722782E+02 -0.20458E-04 -0.31721E-06 480 0.140E-02 0.325E-03
DAV: 22 -0.900229840830E+02 -0.11805E-04 -0.51349E-06 398 0.128E-02 0.142E-03
DAV: 23 -0.900229870639E+02 -0.29809E-05 -0.93428E-07 480 0.468E-03
1 F= -.90022987E+02 E0= -.90027449E+02 d E =0.133847E-01