./iterations/neb0_image01_iter178_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 0.365351047340E+03 0.36535E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.314760842411E+01 -0.36220E+03 -0.34926E+03 842 0.196E+02
DAV: 3 -0.955733027863E+02 -0.98721E+02 -0.98372E+02 669 0.116E+02
DAV: 4 -0.100201467519E+03 -0.46282E+01 -0.46172E+01 688 0.287E+01
DAV: 5 -0.100294620700E+03 -0.93153E-01 -0.93104E-01 720 0.362E+00 0.222E+01
DAV: 6 -0.916762224800E+02 0.86184E+01 -0.31035E+01 688 0.299E+01 0.116E+01
DAV: 7 -0.908808973470E+02 0.79533E+00 -0.18307E+00 712 0.639E+00 0.484E+00
DAV: 8 -0.905074350708E+02 0.37346E+00 -0.54863E-01 704 0.428E+00 0.167E+00
DAV: 9 -0.904251106371E+02 0.82324E-01 -0.13201E-01 720 0.168E+00 0.423E-01
DAV: 10 -0.904205412393E+02 0.45694E-02 -0.47182E-02 720 0.124E+00 0.323E-01
DAV: 11 -0.904247062552E+02 -0.41650E-02 -0.83441E-03 608 0.600E-01 0.118E-01
DAV: 12 -0.904279072489E+02 -0.32010E-02 -0.62448E-03 629 0.431E-01 0.129E-01
DAV: 13 -0.904304208874E+02 -0.25136E-02 -0.15322E-03 853 0.302E-01 0.764E-02
DAV: 14 -0.904336993299E+02 -0.32784E-02 -0.15867E-03 639 0.207E-01 0.727E-02
DAV: 15 -0.904351468568E+02 -0.14475E-02 -0.28699E-04 728 0.119E-01 0.560E-02
DAV: 16 -0.904364896331E+02 -0.13428E-02 -0.11700E-03 661 0.212E-01 0.405E-02
DAV: 17 -0.904373350106E+02 -0.84538E-03 -0.16035E-04 698 0.855E-02 0.342E-02
DAV: 18 -0.904376251550E+02 -0.29014E-03 -0.51941E-05 688 0.355E-02 0.242E-02
DAV: 19 -0.904378638218E+02 -0.23867E-03 -0.13819E-04 625 0.719E-02 0.970E-03
DAV: 20 -0.904378872283E+02 -0.23407E-04 -0.19863E-05 600 0.274E-02 0.105E-02
DAV: 21 -0.904379227267E+02 -0.35498E-04 -0.76147E-06 410 0.167E-02 0.880E-03
DAV: 22 -0.904379458576E+02 -0.23131E-04 -0.58050E-06 468 0.197E-02 0.472E-03
DAV: 23 -0.904379510728E+02 -0.52152E-05 -0.11020E-05 488 0.182E-02
1 F= -.90437951E+02 E0= -.90443883E+02 d E =0.177965E-01