./iterations/neb0_image07_iter222_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 0.370978097247E+03 0.37098E+03 -0.14322E+04 632 0.799E+02
DAV: 2 0.372575458533E+01 -0.36725E+03 -0.35528E+03 869 0.194E+02
DAV: 3 -0.966667352248E+02 -0.10039E+03 -0.10009E+03 704 0.116E+02
DAV: 4 -0.101079937758E+03 -0.44132E+01 -0.44014E+01 704 0.273E+01
DAV: 5 -0.101167705877E+03 -0.87768E-01 -0.87716E-01 736 0.346E+00 0.226E+01
DAV: 6 -0.925685332163E+02 0.85992E+01 -0.30742E+01 720 0.299E+01 0.118E+01
DAV: 7 -0.917219271163E+02 0.84661E+00 -0.17339E+00 728 0.619E+00 0.480E+00
DAV: 8 -0.913479715002E+02 0.37396E+00 -0.54723E-01 728 0.398E+00 0.161E+00
DAV: 9 -0.912671970116E+02 0.80774E-01 -0.13018E-01 720 0.156E+00 0.420E-01
DAV: 10 -0.912584793486E+02 0.87177E-02 -0.39341E-02 760 0.101E+00 0.284E-01
DAV: 11 -0.912628502644E+02 -0.43709E-02 -0.11055E-02 613 0.550E-01 0.142E-01
DAV: 12 -0.912658522713E+02 -0.30020E-02 -0.24999E-03 624 0.262E-01 0.858E-02
DAV: 13 -0.912696517961E+02 -0.37995E-02 -0.14184E-03 642 0.178E-01 0.552E-02
DAV: 14 -0.912726921910E+02 -0.30404E-02 -0.90970E-04 805 0.233E-01 0.481E-02
DAV: 15 -0.912742181249E+02 -0.15259E-02 -0.38049E-04 661 0.112E-01 0.367E-02
DAV: 16 -0.912752730472E+02 -0.10549E-02 -0.19360E-04 768 0.786E-02 0.153E-02
DAV: 17 -0.912761110606E+02 -0.83801E-03 -0.13507E-04 696 0.601E-02 0.146E-02
DAV: 18 -0.912763548535E+02 -0.24379E-03 -0.21022E-05 560 0.265E-02 0.791E-03
DAV: 19 -0.912764771567E+02 -0.12230E-03 -0.26768E-05 541 0.268E-02 0.417E-03
DAV: 20 -0.912765042468E+02 -0.27090E-04 -0.28477E-06 504 0.120E-02 0.207E-03
DAV: 21 -0.912765182867E+02 -0.14040E-04 -0.17510E-06 421 0.642E-03 0.893E-04
DAV: 22 -0.912765291377E+02 -0.10851E-04 -0.15261E-06 439 0.532E-03 0.945E-04
DAV: 23 -0.912765295933E+02 -0.45551E-06 -0.25442E-07 528 0.274E-03
1 F= -.91276530E+02 E0= -.91281991E+02 d E =0.163850E-01