./iterations/neb0_image02_iter6_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 0.365133080593E+03 0.36513E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.390892077625E+01 -0.36122E+03 -0.34837E+03 842 0.195E+02
DAV: 3 -0.950143025380E+02 -0.98923E+02 -0.98580E+02 669 0.116E+02
DAV: 4 -0.995860512022E+02 -0.45717E+01 -0.45522E+01 704 0.282E+01
DAV: 5 -0.996815849488E+02 -0.95534E-01 -0.95490E-01 728 0.361E+00 0.221E+01
DAV: 6 -0.909178562333E+02 0.87637E+01 -0.31623E+01 701 0.302E+01 0.115E+01
DAV: 7 -0.901256933781E+02 0.79216E+00 -0.18066E+00 712 0.640E+00 0.482E+00
DAV: 8 -0.897432787380E+02 0.38241E+00 -0.57581E-01 704 0.435E+00 0.173E+00
DAV: 9 -0.896526893170E+02 0.90589E-01 -0.13990E-01 728 0.170E+00 0.439E-01
DAV: 10 -0.896460009293E+02 0.66884E-02 -0.39340E-02 709 0.103E+00 0.313E-01
DAV: 11 -0.896507286245E+02 -0.47277E-02 -0.10888E-02 677 0.684E-01 0.131E-01
DAV: 12 -0.896524972237E+02 -0.17686E-02 -0.32499E-03 626 0.281E-01 0.118E-01
DAV: 13 -0.896566902635E+02 -0.41930E-02 -0.44679E-03 691 0.463E-01 0.975E-02
DAV: 14 -0.896586512384E+02 -0.19610E-02 -0.81205E-04 672 0.197E-01 0.646E-02
DAV: 15 -0.896607854460E+02 -0.21342E-02 -0.13562E-03 669 0.217E-01 0.381E-02
DAV: 16 -0.896620944672E+02 -0.13090E-02 -0.19875E-04 733 0.101E-01 0.218E-02
DAV: 17 -0.896629150987E+02 -0.82063E-03 -0.17614E-04 738 0.714E-02 0.146E-02
DAV: 18 -0.896634420703E+02 -0.52697E-03 -0.62329E-05 594 0.360E-02 0.850E-03
DAV: 19 -0.896635929408E+02 -0.15087E-03 -0.14009E-05 485 0.217E-02 0.446E-03
DAV: 20 -0.896636814950E+02 -0.88554E-04 -0.18640E-05 503 0.218E-02 0.420E-03
DAV: 21 -0.896637132807E+02 -0.31786E-04 -0.30124E-06 496 0.118E-02 0.240E-03
DAV: 22 -0.896637271590E+02 -0.13878E-04 -0.40025E-06 426 0.105E-02 0.145E-03
DAV: 23 -0.896637303656E+02 -0.32066E-05 -0.73384E-07 504 0.649E-03
1 F= -.89663730E+02 E0= -.89670085E+02 d E =0.190653E-01