iterations/neb0_image05_iter71_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 0.373197316184E+03 0.37320E+03 -0.14309E+04 632 0.799E+02
DAV: 2 0.396112528658E+01 -0.36924E+03 -0.35731E+03 877 0.195E+02
DAV: 3 -0.938658979992E+02 -0.97827E+02 -0.97473E+02 640 0.116E+02
DAV: 4 -0.985504132474E+02 -0.46845E+01 -0.46723E+01 704 0.298E+01
DAV: 5 -0.986522215998E+02 -0.10181E+00 -0.10177E+00 736 0.390E+00 0.218E+01
DAV: 6 -0.904161834168E+02 0.82360E+01 -0.28735E+01 685 0.288E+01 0.112E+01
DAV: 7 -0.895758398867E+02 0.84034E+00 -0.17623E+00 720 0.655E+00 0.467E+00
DAV: 8 -0.891964370701E+02 0.37940E+00 -0.59467E-01 696 0.430E+00 0.154E+00
DAV: 9 -0.891139388632E+02 0.82498E-01 -0.12330E-01 720 0.158E+00 0.430E-01
DAV: 10 -0.891031256803E+02 0.10813E-01 -0.48436E-02 717 0.117E+00 0.331E-01
DAV: 11 -0.891054765564E+02 -0.23509E-02 -0.10506E-02 640 0.579E-01 0.117E-01
DAV: 12 -0.891076963669E+02 -0.22198E-02 -0.30468E-03 650 0.280E-01 0.115E-01
DAV: 13 -0.891131955763E+02 -0.54992E-02 -0.20854E-03 804 0.307E-01 0.652E-02
DAV: 14 -0.891154680000E+02 -0.22724E-02 -0.61896E-04 688 0.124E-01 0.443E-02
DAV: 15 -0.891186330806E+02 -0.31651E-02 -0.88234E-04 658 0.167E-01 0.363E-02
DAV: 16 -0.891193896478E+02 -0.75657E-03 -0.10531E-04 776 0.739E-02 0.203E-02
DAV: 17 -0.891204633207E+02 -0.10737E-02 -0.22354E-04 655 0.772E-02 0.137E-02
DAV: 18 -0.891207857560E+02 -0.32244E-03 -0.32334E-05 597 0.382E-02 0.788E-03
DAV: 19 -0.891209479298E+02 -0.16217E-03 -0.26809E-05 517 0.264E-02 0.438E-03
DAV: 20 -0.891210293953E+02 -0.81466E-04 -0.11010E-05 444 0.160E-02 0.328E-03
DAV: 21 -0.891210458880E+02 -0.16493E-04 -0.25004E-06 504 0.737E-03 0.264E-03
DAV: 22 -0.891210548673E+02 -0.89793E-05 -0.32035E-06 417 0.115E-02
1 F= -.89121055E+02 E0= -.89124929E+02 d E =0.116222E-01