iterations/neb0_image04_iter166_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 0.363727620585E+03 0.36373E+03 -0.14356E+04 640 0.799E+02
DAV: 2 0.706682313442E+00 -0.36302E+03 -0.35014E+03 874 0.194E+02
DAV: 3 -0.959207220245E+02 -0.96627E+02 -0.96318E+02 658 0.115E+02
DAV: 4 -0.100218045235E+03 -0.42973E+01 -0.42875E+01 704 0.280E+01
DAV: 5 -0.100300111177E+03 -0.82066E-01 -0.82032E-01 736 0.351E+00 0.223E+01
DAV: 6 -0.915986906452E+02 0.87014E+01 -0.30979E+01 682 0.297E+01 0.116E+01
DAV: 7 -0.907376326243E+02 0.86106E+00 -0.17894E+00 712 0.630E+00 0.484E+00
DAV: 8 -0.903284804511E+02 0.40915E+00 -0.56711E-01 704 0.428E+00 0.162E+00
DAV: 9 -0.902336836536E+02 0.94797E-01 -0.13324E-01 720 0.169E+00 0.438E-01
DAV: 10 -0.902246527736E+02 0.90309E-02 -0.48948E-02 712 0.115E+00 0.346E-01
DAV: 11 -0.902298442535E+02 -0.51915E-02 -0.11747E-02 680 0.738E-01 0.150E-01
DAV: 12 -0.902316286228E+02 -0.17844E-02 -0.39800E-03 640 0.316E-01 0.136E-01
DAV: 13 -0.902351280073E+02 -0.34994E-02 -0.29794E-03 615 0.348E-01 0.760E-02
DAV: 14 -0.902391558406E+02 -0.40278E-02 -0.10105E-03 644 0.152E-01 0.553E-02
DAV: 15 -0.902415456596E+02 -0.23898E-02 -0.44664E-04 672 0.116E-01 0.232E-02
DAV: 16 -0.902432341685E+02 -0.16885E-02 -0.23455E-04 663 0.742E-02 0.210E-02
DAV: 17 -0.902440386958E+02 -0.80453E-03 -0.96843E-05 668 0.498E-02 0.143E-02
DAV: 18 -0.902442577754E+02 -0.21908E-03 -0.46896E-05 680 0.369E-02 0.689E-03
DAV: 19 -0.902443831518E+02 -0.12538E-03 -0.11997E-05 446 0.206E-02 0.343E-03
DAV: 20 -0.902444619016E+02 -0.78750E-04 -0.10004E-05 445 0.126E-02 0.296E-03
DAV: 21 -0.902444938669E+02 -0.31965E-04 -0.37287E-06 476 0.934E-03 0.182E-03
DAV: 22 -0.902445042894E+02 -0.10422E-04 -0.25103E-06 458 0.740E-03 0.174E-03
DAV: 23 -0.902445060195E+02 -0.17301E-05 -0.69551E-07 472 0.509E-03
1 F= -.90244506E+02 E0= -.90253545E+02 d E =0.271160E-01