iterations/neb0_image02_iter167_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 0.363911428425E+03 0.36391E+03 -0.14331E+04 632 0.799E+02
DAV: 2 0.186368860761E+01 -0.36205E+03 -0.35004E+03 853 0.195E+02
DAV: 3 -0.956705035366E+02 -0.97534E+02 -0.97196E+02 656 0.115E+02
DAV: 4 -0.100238106074E+03 -0.45676E+01 -0.45568E+01 720 0.287E+01
DAV: 5 -0.100328931485E+03 -0.90825E-01 -0.90796E-01 760 0.362E+00 0.222E+01
DAV: 6 -0.916788141298E+02 0.86501E+01 -0.31022E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908621011941E+02 0.81671E+00 -0.18472E+00 704 0.637E+00 0.485E+00
DAV: 8 -0.904805550439E+02 0.38155E+00 -0.55687E-01 696 0.432E+00 0.170E+00
DAV: 9 -0.903933827130E+02 0.87172E-01 -0.13780E-01 712 0.168E+00 0.431E-01
DAV: 10 -0.903877425061E+02 0.56402E-02 -0.49684E-02 704 0.129E+00 0.330E-01
DAV: 11 -0.903912151318E+02 -0.34726E-02 -0.75272E-03 616 0.557E-01 0.132E-01
DAV: 12 -0.903944227826E+02 -0.32077E-02 -0.75542E-03 640 0.458E-01 0.138E-01
DAV: 13 -0.903969304478E+02 -0.25077E-02 -0.19964E-03 904 0.355E-01 0.820E-02
DAV: 14 -0.904001049321E+02 -0.31745E-02 -0.14081E-03 634 0.175E-01 0.685E-02
DAV: 15 -0.904020376747E+02 -0.19327E-02 -0.35141E-04 664 0.107E-01 0.524E-02
DAV: 16 -0.904035713086E+02 -0.15336E-02 -0.10409E-03 669 0.189E-01 0.402E-02
DAV: 17 -0.904042990050E+02 -0.72770E-03 -0.15823E-04 744 0.872E-02 0.263E-02
DAV: 18 -0.904046129484E+02 -0.31394E-03 -0.89482E-05 672 0.446E-02 0.990E-03
DAV: 19 -0.904047702849E+02 -0.15734E-03 -0.39620E-05 661 0.320E-02 0.695E-03
DAV: 20 -0.904048022624E+02 -0.31977E-04 -0.38727E-06 520 0.141E-02 0.555E-03
DAV: 21 -0.904048556373E+02 -0.53375E-04 -0.99297E-06 417 0.155E-02 0.319E-03
DAV: 22 -0.904048617230E+02 -0.60857E-05 -0.39377E-06 488 0.116E-02
1 F= -.90404862E+02 E0= -.90411377E+02 d E =0.195443E-01