iterations/neb0_image06_iter194_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 0.371458235263E+03 0.37146E+03 -0.14351E+04 640 0.799E+02
DAV: 2 0.453758387105E+01 -0.36692E+03 -0.35492E+03 858 0.193E+02
DAV: 3 -0.958567556252E+02 -0.10039E+03 -0.10005E+03 685 0.116E+02
DAV: 4 -0.100497329563E+03 -0.46406E+01 -0.46280E+01 720 0.283E+01
DAV: 5 -0.100590774591E+03 -0.93445E-01 -0.93391E-01 736 0.358E+00 0.226E+01
DAV: 6 -0.920006425604E+02 0.85901E+01 -0.30609E+01 709 0.302E+01 0.118E+01
DAV: 7 -0.911675296798E+02 0.83311E+00 -0.17652E+00 720 0.626E+00 0.480E+00
DAV: 8 -0.907904337491E+02 0.37710E+00 -0.54449E-01 704 0.411E+00 0.166E+00
DAV: 9 -0.907001685839E+02 0.90265E-01 -0.12883E-01 704 0.158E+00 0.422E-01
DAV: 10 -0.906900189683E+02 0.10150E-01 -0.38234E-02 760 0.971E-01 0.287E-01
DAV: 11 -0.906943652312E+02 -0.43463E-02 -0.10286E-02 602 0.529E-01 0.152E-01
DAV: 12 -0.906967829792E+02 -0.24177E-02 -0.20866E-03 640 0.250E-01 0.875E-02
DAV: 13 -0.907011249734E+02 -0.43420E-02 -0.19441E-03 636 0.216E-01 0.605E-02
DAV: 14 -0.907036484376E+02 -0.25235E-02 -0.59449E-04 896 0.189E-01 0.319E-02
DAV: 15 -0.907062053872E+02 -0.25569E-02 -0.43265E-04 618 0.100E-01 0.347E-02
DAV: 16 -0.907073371554E+02 -0.11318E-02 -0.13132E-04 688 0.699E-02 0.154E-02
DAV: 17 -0.907082801474E+02 -0.94299E-03 -0.20280E-04 629 0.735E-02 0.184E-02
DAV: 18 -0.907084670714E+02 -0.18692E-03 -0.29409E-05 608 0.367E-02 0.104E-02
DAV: 19 -0.907085749887E+02 -0.10792E-03 -0.36532E-05 618 0.339E-02 0.634E-03
DAV: 20 -0.907086131553E+02 -0.38167E-04 -0.61222E-06 472 0.202E-02 0.214E-03
DAV: 21 -0.907086468967E+02 -0.33741E-04 -0.80429E-06 404 0.145E-02 0.281E-03
DAV: 22 -0.907086549710E+02 -0.80743E-05 -0.11996E-06 477 0.616E-03
1 F= -.90708655E+02 E0= -.90713523E+02 d E =0.146033E-01