iterations/neb0_image06_iter75_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 0.376293025895E+03 0.37629E+03 -0.14315E+04 632 0.799E+02
DAV: 2 0.420223784485E+01 -0.37209E+03 -0.35978E+03 869 0.195E+02
DAV: 3 -0.955906324157E+02 -0.99793E+02 -0.99472E+02 656 0.117E+02
DAV: 4 -0.100151904220E+03 -0.45613E+01 -0.45504E+01 704 0.291E+01
DAV: 5 -0.100245511550E+03 -0.93607E-01 -0.93570E-01 720 0.371E+00 0.227E+01
DAV: 6 -0.916017705997E+02 0.86437E+01 -0.30808E+01 685 0.306E+01 0.118E+01
DAV: 7 -0.907529620588E+02 0.84881E+00 -0.16990E+00 720 0.624E+00 0.481E+00
DAV: 8 -0.903690527090E+02 0.38391E+00 -0.52720E-01 704 0.402E+00 0.166E+00
DAV: 9 -0.902785216376E+02 0.90531E-01 -0.13067E-01 720 0.161E+00 0.424E-01
DAV: 10 -0.902687976768E+02 0.97240E-02 -0.41672E-02 720 0.105E+00 0.304E-01
DAV: 11 -0.902732018754E+02 -0.44042E-02 -0.11463E-02 621 0.678E-01 0.156E-01
DAV: 12 -0.902748675458E+02 -0.16657E-02 -0.27396E-03 650 0.288E-01 0.117E-01
DAV: 13 -0.902793314624E+02 -0.44639E-02 -0.27057E-03 643 0.326E-01 0.862E-02
DAV: 14 -0.902811592271E+02 -0.18278E-02 -0.44606E-04 712 0.144E-01 0.538E-02
DAV: 15 -0.902844191502E+02 -0.32599E-02 -0.10001E-03 629 0.182E-01 0.373E-02
DAV: 16 -0.902860930017E+02 -0.16739E-02 -0.22923E-04 688 0.929E-02 0.228E-02
DAV: 17 -0.902866305484E+02 -0.53755E-03 -0.11052E-04 760 0.639E-02 0.142E-02
DAV: 18 -0.902873250007E+02 -0.69445E-03 -0.14106E-04 660 0.753E-02 0.147E-02
DAV: 19 -0.902874029626E+02 -0.77962E-04 -0.16867E-05 512 0.317E-02 0.117E-02
DAV: 20 -0.902874818398E+02 -0.78877E-04 -0.36647E-05 567 0.373E-02 0.390E-03
DAV: 21 -0.902875288261E+02 -0.46986E-04 -0.64750E-06 485 0.148E-02 0.457E-03
DAV: 22 -0.902875595593E+02 -0.30733E-04 -0.32682E-06 411 0.783E-03 0.429E-03
DAV: 23 -0.902875680598E+02 -0.85005E-05 -0.32807E-06 461 0.141E-02
1 F= -.90287568E+02 E0= -.90295655E+02 d E =0.242608E-01