iterations/neb0_image02_iter204_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 0.366978943649E+03 0.36698E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.213771922597E+01 -0.36484E+03 -0.35284E+03 858 0.196E+02
DAV: 3 -0.956452415271E+02 -0.97783E+02 -0.97453E+02 648 0.116E+02
DAV: 4 -0.100248589589E+03 -0.46033E+01 -0.45928E+01 712 0.291E+01
DAV: 5 -0.100338562443E+03 -0.89973E-01 -0.89934E-01 736 0.366E+00 0.223E+01
DAV: 6 -0.916811114722E+02 0.86575E+01 -0.30921E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908573426504E+02 0.82377E+00 -0.18336E+00 720 0.637E+00 0.484E+00
DAV: 8 -0.904758521883E+02 0.38149E+00 -0.55506E-01 696 0.431E+00 0.169E+00
DAV: 9 -0.903900030937E+02 0.85849E-01 -0.13686E-01 720 0.167E+00 0.430E-01
DAV: 10 -0.903848041913E+02 0.51989E-02 -0.49367E-02 704 0.128E+00 0.331E-01
DAV: 11 -0.903882735123E+02 -0.34693E-02 -0.75224E-03 616 0.583E-01 0.126E-01
DAV: 12 -0.903913367553E+02 -0.30632E-02 -0.70313E-03 648 0.429E-01 0.134E-01
DAV: 13 -0.903940191481E+02 -0.26824E-02 -0.18828E-03 845 0.340E-01 0.822E-02
DAV: 14 -0.903971550594E+02 -0.31359E-02 -0.13391E-03 637 0.169E-01 0.685E-02
DAV: 15 -0.903990906449E+02 -0.19356E-02 -0.34403E-04 688 0.108E-01 0.498E-02
DAV: 16 -0.904005723742E+02 -0.14817E-02 -0.93470E-04 677 0.176E-01 0.386E-02
DAV: 17 -0.904012546206E+02 -0.68225E-03 -0.14887E-04 784 0.846E-02 0.232E-02
DAV: 18 -0.904015525215E+02 -0.29790E-03 -0.79593E-05 672 0.434E-02 0.729E-03
DAV: 19 -0.904017261787E+02 -0.17366E-03 -0.27188E-05 559 0.249E-02 0.570E-03
DAV: 20 -0.904017630070E+02 -0.36828E-04 -0.31690E-06 504 0.118E-02 0.471E-03
DAV: 21 -0.904018189326E+02 -0.55926E-04 -0.12177E-05 420 0.177E-02 0.302E-03
DAV: 22 -0.904018218717E+02 -0.29392E-05 -0.27680E-06 512 0.997E-03
1 F= -.90401822E+02 E0= -.90408770E+02 d E =0.208432E-01