iterations/neb0_image01_iter10_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 0.364764342792E+03 0.36476E+03 -0.14287E+04 624 0.799E+02
DAV: 2 0.246317181099E+01 -0.36230E+03 -0.35041E+03 847 0.195E+02
DAV: 3 -0.957455259540E+02 -0.98209E+02 -0.97890E+02 696 0.116E+02
DAV: 4 -0.100001911056E+03 -0.42564E+01 -0.42460E+01 696 0.271E+01
DAV: 5 -0.100086831450E+03 -0.84920E-01 -0.84873E-01 744 0.339E+00 0.222E+01
DAV: 6 -0.914532644567E+02 0.86336E+01 -0.31098E+01 688 0.298E+01 0.116E+01
DAV: 7 -0.906356873476E+02 0.81758E+00 -0.17881E+00 704 0.638E+00 0.484E+00
DAV: 8 -0.902555112506E+02 0.38018E+00 -0.58567E-01 728 0.439E+00 0.166E+00
DAV: 9 -0.901738078411E+02 0.81703E-01 -0.13304E-01 736 0.162E+00 0.436E-01
DAV: 10 -0.901684344114E+02 0.53734E-02 -0.42549E-02 712 0.120E+00 0.314E-01
DAV: 11 -0.901719101859E+02 -0.34758E-02 -0.53838E-03 608 0.480E-01 0.150E-01
DAV: 12 -0.901754673800E+02 -0.35572E-02 -0.68523E-03 624 0.440E-01 0.125E-01
DAV: 13 -0.901786994443E+02 -0.32321E-02 -0.14886E-03 837 0.314E-01 0.732E-02
DAV: 14 -0.901812652850E+02 -0.25658E-02 -0.99818E-04 629 0.139E-01 0.501E-02
DAV: 15 -0.901836750667E+02 -0.24098E-02 -0.36228E-04 677 0.959E-02 0.324E-02
DAV: 16 -0.901848496126E+02 -0.11745E-02 -0.27948E-04 693 0.867E-02 0.220E-02
DAV: 17 -0.901855499200E+02 -0.70031E-03 -0.66895E-05 589 0.492E-02 0.140E-02
DAV: 18 -0.901859264082E+02 -0.37649E-03 -0.10219E-04 666 0.503E-02 0.120E-02
DAV: 19 -0.901859677948E+02 -0.41387E-04 -0.67874E-06 520 0.262E-02 0.666E-03
DAV: 20 -0.901860504842E+02 -0.82689E-04 -0.49346E-05 602 0.405E-02 0.108E-02
DAV: 21 -0.901860656289E+02 -0.15145E-04 -0.69079E-06 480 0.255E-02 0.502E-03
DAV: 22 -0.901860833870E+02 -0.17758E-04 -0.96610E-06 431 0.161E-02 0.162E-03
DAV: 23 -0.901860898061E+02 -0.64191E-05 -0.24570E-06 488 0.844E-03
1 F= -.90186090E+02 E0= -.90193895E+02 d E =0.234145E-01