iterations/neb0_image04_iter121_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 0.369899178399E+03 0.36990E+03 -0.14312E+04 632 0.799E+02
DAV: 2 0.381638415028E+01 -0.36608E+03 -0.35426E+03 858 0.195E+02
DAV: 3 -0.954174127681E+02 -0.99234E+02 -0.98919E+02 677 0.116E+02
DAV: 4 -0.998685338193E+02 -0.44511E+01 -0.44404E+01 704 0.281E+01
DAV: 5 -0.999558815022E+02 -0.87348E-01 -0.87307E-01 728 0.354E+00 0.222E+01
DAV: 6 -0.914417603063E+02 0.85141E+01 -0.30009E+01 693 0.294E+01 0.116E+01
DAV: 7 -0.905869231944E+02 0.85484E+00 -0.17416E+00 704 0.626E+00 0.479E+00
DAV: 8 -0.901886923073E+02 0.39823E+00 -0.55525E-01 712 0.420E+00 0.163E+00
DAV: 9 -0.900946054208E+02 0.94087E-01 -0.13143E-01 720 0.178E+00 0.441E-01
DAV: 10 -0.900850385046E+02 0.95669E-02 -0.61849E-02 712 0.149E+00 0.361E-01
DAV: 11 -0.900890218005E+02 -0.39833E-02 -0.16191E-02 632 0.761E-01 0.146E-01
DAV: 12 -0.900908311354E+02 -0.18093E-02 -0.57839E-03 626 0.349E-01 0.149E-01
DAV: 13 -0.900936427962E+02 -0.28117E-02 -0.23318E-03 829 0.384E-01 0.789E-02
DAV: 14 -0.900978902375E+02 -0.42474E-02 -0.16147E-03 639 0.219E-01 0.694E-02
DAV: 15 -0.901000795905E+02 -0.21894E-02 -0.32763E-04 752 0.109E-01 0.490E-02
DAV: 16 -0.901018921024E+02 -0.18125E-02 -0.80437E-04 666 0.165E-01 0.334E-02
DAV: 17 -0.901027191084E+02 -0.82701E-03 -0.14371E-04 776 0.838E-02 0.185E-02
DAV: 18 -0.901031978419E+02 -0.47873E-03 -0.10414E-04 650 0.462E-02 0.108E-02
DAV: 19 -0.901033465513E+02 -0.14871E-03 -0.15966E-05 485 0.241E-02 0.383E-03
DAV: 20 -0.901034207270E+02 -0.74176E-04 -0.12968E-05 450 0.175E-02 0.332E-03
DAV: 21 -0.901034540159E+02 -0.33289E-04 -0.52669E-06 442 0.962E-03 0.260E-03
DAV: 22 -0.901034601909E+02 -0.61750E-05 -0.15981E-06 496 0.749E-03
1 F= -.90103460E+02 E0= -.90107690E+02 d E =0.126883E-01