iterations/neb0_image03_iter97_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 0.366834536733E+03 0.36683E+03 -0.14318E+04 632 0.799E+02
DAV: 2 0.310478772523E+01 -0.36373E+03 -0.35040E+03 845 0.195E+02
DAV: 3 -0.955267025282E+02 -0.98631E+02 -0.98311E+02 664 0.116E+02
DAV: 4 -0.100128994662E+03 -0.46023E+01 -0.45926E+01 712 0.287E+01
DAV: 5 -0.100220141072E+03 -0.91146E-01 -0.91110E-01 736 0.362E+00 0.222E+01
DAV: 6 -0.916562020796E+02 0.85639E+01 -0.30578E+01 688 0.296E+01 0.116E+01
DAV: 7 -0.908112799143E+02 0.84492E+00 -0.18079E+00 704 0.639E+00 0.482E+00
DAV: 8 -0.904093542914E+02 0.40193E+00 -0.56733E-01 688 0.434E+00 0.166E+00
DAV: 9 -0.903149443051E+02 0.94410E-01 -0.13380E-01 696 0.179E+00 0.453E-01
DAV: 10 -0.903066542021E+02 0.82901E-02 -0.40888E-02 728 0.107E+00 0.333E-01
DAV: 11 -0.903093775217E+02 -0.27233E-02 -0.60747E-03 672 0.555E-01 0.121E-01
DAV: 12 -0.903118150967E+02 -0.24376E-02 -0.43793E-03 618 0.304E-01 0.116E-01
DAV: 13 -0.903168219623E+02 -0.50069E-02 -0.29757E-03 789 0.388E-01 0.908E-02
DAV: 14 -0.903198494262E+02 -0.30275E-02 -0.68834E-04 669 0.165E-01 0.573E-02
DAV: 15 -0.903225002726E+02 -0.26508E-02 -0.10557E-03 653 0.193E-01 0.381E-02
DAV: 16 -0.903237333758E+02 -0.12331E-02 -0.18586E-04 752 0.100E-01 0.148E-02
DAV: 17 -0.903247438201E+02 -0.10104E-02 -0.15826E-04 661 0.532E-02 0.996E-03
DAV: 18 -0.903250613894E+02 -0.31757E-03 -0.27282E-05 560 0.295E-02 0.519E-03
DAV: 19 -0.903251846393E+02 -0.12325E-03 -0.18671E-05 490 0.231E-02 0.595E-03
DAV: 20 -0.903252171651E+02 -0.32526E-04 -0.49521E-06 528 0.195E-02 0.299E-03
DAV: 21 -0.903252723125E+02 -0.55147E-04 -0.10114E-05 419 0.141E-02 0.318E-03
DAV: 22 -0.903252778011E+02 -0.54886E-05 -0.14261E-06 520 0.855E-03
1 F= -.90325278E+02 E0= -.90333763E+02 d E =0.254553E-01