iterations/neb0_image02_iter228_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 0.366246300142E+03 0.36625E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.356779347667E+00 -0.36589E+03 -0.35548E+03 877 0.195E+02
DAV: 3 -0.956732591234E+02 -0.96030E+02 -0.95699E+02 632 0.115E+02
DAV: 4 -0.100229045018E+03 -0.45558E+01 -0.45451E+01 712 0.294E+01
DAV: 5 -0.100319409998E+03 -0.90365E-01 -0.90332E-01 736 0.372E+00 0.222E+01
DAV: 6 -0.916713283930E+02 0.86481E+01 -0.30933E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908539942137E+02 0.81733E+00 -0.18255E+00 712 0.637E+00 0.484E+00
DAV: 8 -0.904732661666E+02 0.38073E+00 -0.55542E-01 696 0.432E+00 0.169E+00
DAV: 9 -0.903877658109E+02 0.85500E-01 -0.13557E-01 720 0.167E+00 0.428E-01
DAV: 10 -0.903828830896E+02 0.48827E-02 -0.48619E-02 704 0.125E+00 0.329E-01
DAV: 11 -0.903866275280E+02 -0.37444E-02 -0.78868E-03 624 0.607E-01 0.117E-01
DAV: 12 -0.903895089869E+02 -0.28815E-02 -0.62243E-03 640 0.393E-01 0.131E-01
DAV: 13 -0.903922540345E+02 -0.27450E-02 -0.18278E-03 856 0.329E-01 0.824E-02
DAV: 14 -0.903953806325E+02 -0.31266E-02 -0.12633E-03 629 0.163E-01 0.682E-02
DAV: 15 -0.903972366572E+02 -0.18560E-02 -0.33001E-04 696 0.108E-01 0.481E-02
DAV: 16 -0.903986797224E+02 -0.14431E-02 -0.91487E-04 672 0.174E-01 0.392E-02
DAV: 17 -0.903992887975E+02 -0.60908E-03 -0.14927E-04 808 0.852E-02 0.226E-02
DAV: 18 -0.903995511966E+02 -0.26240E-03 -0.67764E-05 680 0.406E-02 0.734E-03
DAV: 19 -0.903997512458E+02 -0.20005E-03 -0.30222E-05 558 0.255E-02 0.522E-03
DAV: 20 -0.903997887519E+02 -0.37506E-04 -0.31320E-06 504 0.114E-02 0.464E-03
DAV: 21 -0.903998443233E+02 -0.55571E-04 -0.11563E-05 409 0.174E-02 0.306E-03
DAV: 22 -0.903998485606E+02 -0.42374E-05 -0.29265E-06 504 0.102E-02
1 F= -.90399849E+02 E0= -.90406843E+02 d E =0.209825E-01