iterations/neb0_image03_iter39_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 0.369347993534E+03 0.36935E+03 -0.14330E+04 632 0.799E+02
DAV: 2 0.431965615577E+01 -0.36503E+03 -0.35190E+03 845 0.195E+02
DAV: 3 -0.952752631236E+02 -0.99595E+02 -0.99257E+02 656 0.116E+02
DAV: 4 -0.100029136732E+03 -0.47539E+01 -0.47441E+01 712 0.294E+01
DAV: 5 -0.100121058008E+03 -0.91921E-01 -0.91878E-01 728 0.369E+00 0.224E+01
DAV: 6 -0.914625662294E+02 0.86585E+01 -0.30462E+01 688 0.297E+01 0.117E+01
DAV: 7 -0.905967811396E+02 0.86579E+00 -0.18286E+00 696 0.636E+00 0.480E+00
DAV: 8 -0.901960901374E+02 0.40069E+00 -0.54714E-01 696 0.420E+00 0.169E+00
DAV: 9 -0.901000356322E+02 0.96055E-01 -0.14339E-01 696 0.170E+00 0.447E-01
DAV: 10 -0.900916612236E+02 0.83744E-02 -0.42342E-02 704 0.120E+00 0.331E-01
DAV: 11 -0.900944602889E+02 -0.27991E-02 -0.66528E-03 608 0.546E-01 0.128E-01
DAV: 12 -0.900973320970E+02 -0.28718E-02 -0.62389E-03 623 0.358E-01 0.128E-01
DAV: 13 -0.901009913217E+02 -0.36592E-02 -0.16735E-03 848 0.350E-01 0.765E-02
DAV: 14 -0.901044415342E+02 -0.34502E-02 -0.10495E-03 639 0.148E-01 0.576E-02
DAV: 15 -0.901070507359E+02 -0.26092E-02 -0.40457E-04 664 0.122E-01 0.277E-02
DAV: 16 -0.901088880121E+02 -0.18373E-02 -0.35529E-04 650 0.998E-02 0.285E-02
DAV: 17 -0.901093858471E+02 -0.49783E-03 -0.35242E-05 632 0.434E-02 0.195E-02
DAV: 18 -0.901099996352E+02 -0.61379E-03 -0.19942E-04 671 0.821E-02 0.167E-02
DAV: 19 -0.901100394618E+02 -0.39827E-04 -0.14634E-05 552 0.343E-02 0.106E-02
DAV: 20 -0.901101199494E+02 -0.80488E-04 -0.47829E-05 636 0.410E-02 0.734E-03
DAV: 21 -0.901101775845E+02 -0.57635E-04 -0.98714E-06 453 0.245E-02 0.209E-03
DAV: 22 -0.901102088781E+02 -0.31294E-04 -0.58476E-06 426 0.111E-02 0.130E-03
DAV: 23 -0.901102193580E+02 -0.10480E-04 -0.17594E-06 477 0.631E-03 0.165E-03
DAV: 24 -0.901102233127E+02 -0.39547E-05 -0.60375E-07 428 0.475E-03
1 F= -.90110223E+02 E0= -.90122472E+02 d E =0.367474E-01