./iterations/neb0_image07_iter133_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 0.375948958264E+03 0.37595E+03 -0.14278E+04 624 0.799E+02
DAV: 2 0.348061002388E+01 -0.37247E+03 -0.35984E+03 877 0.196E+02
DAV: 3 -0.966147477874E+02 -0.10010E+03 -0.99776E+02 677 0.117E+02
DAV: 4 -0.101032828009E+03 -0.44181E+01 -0.44054E+01 720 0.278E+01
DAV: 5 -0.101120047290E+03 -0.87219E-01 -0.87186E-01 728 0.352E+00 0.226E+01
DAV: 6 -0.925308029576E+02 0.85892E+01 -0.30752E+01 712 0.302E+01 0.119E+01
DAV: 7 -0.916774925372E+02 0.85331E+00 -0.16642E+00 728 0.612E+00 0.481E+00
DAV: 8 -0.913002150295E+02 0.37728E+00 -0.55069E-01 712 0.400E+00 0.163E+00
DAV: 9 -0.912176633832E+02 0.82552E-01 -0.12992E-01 712 0.155E+00 0.425E-01
DAV: 10 -0.912084473775E+02 0.92160E-02 -0.45520E-02 749 0.109E+00 0.303E-01
DAV: 11 -0.912133281389E+02 -0.48808E-02 -0.13182E-02 608 0.601E-01 0.151E-01
DAV: 12 -0.912161079569E+02 -0.27798E-02 -0.28033E-03 641 0.244E-01 0.128E-01
DAV: 13 -0.912198371228E+02 -0.37292E-02 -0.20205E-03 656 0.263E-01 0.484E-02
DAV: 14 -0.912224297408E+02 -0.25926E-02 -0.50162E-04 661 0.110E-01 0.417E-02
DAV: 15 -0.912249224970E+02 -0.24928E-02 -0.24462E-04 648 0.741E-02 0.353E-02
DAV: 16 -0.912258740733E+02 -0.95158E-03 -0.28724E-04 688 0.824E-02 0.192E-02
DAV: 17 -0.912264481120E+02 -0.57404E-03 -0.84704E-05 640 0.527E-02 0.103E-02
DAV: 18 -0.912266069983E+02 -0.15889E-03 -0.19755E-05 480 0.232E-02 0.822E-03
DAV: 19 -0.912266514828E+02 -0.44484E-04 -0.10268E-05 496 0.220E-02 0.417E-03
DAV: 20 -0.912266742976E+02 -0.22815E-04 -0.74585E-06 450 0.170E-02 0.458E-03
DAV: 21 -0.912267115008E+02 -0.37203E-04 -0.54859E-06 404 0.115E-02 0.277E-03
DAV: 22 -0.912267182268E+02 -0.67260E-05 -0.20027E-06 472 0.751E-03
1 F= -.91226718E+02 E0= -.91232210E+02 d E =0.164752E-01