./iterations/neb0_image05_iter172_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 0.370941705562E+03 0.37094E+03 -0.14305E+04 624 0.799E+02
DAV: 2 0.422506412975E+01 -0.36672E+03 -0.35281E+03 850 0.195E+02
DAV: 3 -0.954370364893E+02 -0.99662E+02 -0.99338E+02 680 0.116E+02
DAV: 4 -0.100013127904E+03 -0.45761E+01 -0.45648E+01 720 0.282E+01
DAV: 5 -0.100104061956E+03 -0.90934E-01 -0.90886E-01 728 0.354E+00 0.223E+01
DAV: 6 -0.915807585103E+02 0.85233E+01 -0.30192E+01 672 0.297E+01 0.118E+01
DAV: 7 -0.907565087420E+02 0.82425E+00 -0.18293E+00 736 0.642E+00 0.482E+00
DAV: 8 -0.903775964685E+02 0.37891E+00 -0.53358E-01 736 0.424E+00 0.171E+00
DAV: 9 -0.902885509845E+02 0.89045E-01 -0.14451E-01 712 0.170E+00 0.448E-01
DAV: 10 -0.902809868638E+02 0.75641E-02 -0.39063E-02 768 0.127E+00 0.319E-01
DAV: 11 -0.902830310914E+02 -0.20442E-02 -0.55290E-03 632 0.496E-01 0.177E-01
DAV: 12 -0.902853712084E+02 -0.23401E-02 -0.58949E-03 632 0.400E-01 0.104E-01
DAV: 13 -0.902885812574E+02 -0.32100E-02 -0.98836E-04 636 0.186E-01 0.797E-02
DAV: 14 -0.902922932560E+02 -0.37120E-02 -0.14636E-03 664 0.184E-01 0.389E-02
DAV: 15 -0.902953052453E+02 -0.30120E-02 -0.32041E-04 669 0.853E-02 0.280E-02
DAV: 16 -0.902971761534E+02 -0.18709E-02 -0.35835E-04 688 0.943E-02 0.211E-02
DAV: 17 -0.902976961735E+02 -0.52002E-03 -0.44290E-05 632 0.474E-02 0.135E-02
DAV: 18 -0.902980969792E+02 -0.40081E-03 -0.95133E-05 623 0.474E-02 0.875E-03
DAV: 19 -0.902981352719E+02 -0.38293E-04 -0.48789E-06 512 0.183E-02 0.489E-03
DAV: 20 -0.902981993176E+02 -0.64046E-04 -0.21335E-05 487 0.278E-02 0.548E-03
DAV: 21 -0.902982153431E+02 -0.16025E-04 -0.29855E-06 496 0.132E-02 0.387E-03
DAV: 22 -0.902982222125E+02 -0.68694E-05 -0.31615E-06 426 0.110E-02
1 F= -.90298222E+02 E0= -.90306652E+02 d E =0.252901E-01