iterations/neb0_image05_iter168_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 0.371038688156E+03 0.37104E+03 -0.14304E+04 624 0.799E+02
DAV: 2 0.421618750726E+01 -0.36682E+03 -0.35286E+03 850 0.195E+02
DAV: 3 -0.952638507155E+02 -0.99480E+02 -0.99148E+02 664 0.116E+02
DAV: 4 -0.999936742719E+02 -0.47298E+01 -0.47185E+01 720 0.289E+01
DAV: 5 -0.100089168847E+03 -0.95495E-01 -0.95442E-01 728 0.365E+00 0.223E+01
DAV: 6 -0.915713305058E+02 0.85178E+01 -0.30047E+01 672 0.296E+01 0.118E+01
DAV: 7 -0.907462380360E+02 0.82509E+00 -0.18453E+00 736 0.645E+00 0.482E+00
DAV: 8 -0.903667227547E+02 0.37952E+00 -0.53829E-01 728 0.426E+00 0.170E+00
DAV: 9 -0.902785542098E+02 0.88169E-01 -0.14472E-01 712 0.172E+00 0.451E-01
DAV: 10 -0.902709274318E+02 0.76268E-02 -0.35958E-02 760 0.125E+00 0.306E-01
DAV: 11 -0.902729651157E+02 -0.20377E-02 -0.64375E-03 656 0.473E-01 0.189E-01
DAV: 12 -0.902754373425E+02 -0.24722E-02 -0.63331E-03 632 0.455E-01 0.107E-01
DAV: 13 -0.902785868637E+02 -0.31495E-02 -0.93592E-04 642 0.201E-01 0.825E-02
DAV: 14 -0.902820324640E+02 -0.34456E-02 -0.15151E-03 658 0.187E-01 0.390E-02
DAV: 15 -0.902850650586E+02 -0.30326E-02 -0.34565E-04 669 0.962E-02 0.298E-02
DAV: 16 -0.902868852337E+02 -0.18202E-02 -0.30669E-04 688 0.874E-02 0.175E-02
DAV: 17 -0.902876035497E+02 -0.71832E-03 -0.61290E-05 610 0.455E-02 0.126E-02
DAV: 18 -0.902879968535E+02 -0.39330E-03 -0.80759E-05 645 0.442E-02 0.753E-03
DAV: 19 -0.902880452433E+02 -0.48390E-04 -0.43605E-06 512 0.141E-02 0.513E-03
DAV: 20 -0.902881031320E+02 -0.57889E-04 -0.12139E-05 420 0.222E-02 0.282E-03
DAV: 21 -0.902881225691E+02 -0.19437E-04 -0.56289E-06 488 0.130E-02 0.443E-03
DAV: 22 -0.902881260488E+02 -0.34797E-05 -0.12001E-06 488 0.778E-03
1 F= -.90288126E+02 E0= -.90296414E+02 d E =0.248628E-01