./iterations/neb0_image04_iter258_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 0.367021148134E+03 0.36702E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.899812569738E+00 -0.36612E+03 -0.35491E+03 855 0.195E+02
DAV: 3 -0.960758272627E+02 -0.96976E+02 -0.96686E+02 664 0.116E+02
DAV: 4 -0.100333273118E+03 -0.42574E+01 -0.42480E+01 696 0.277E+01
DAV: 5 -0.100416672908E+03 -0.83400E-01 -0.83371E-01 736 0.346E+00 0.224E+01
DAV: 6 -0.916931069127E+02 0.87236E+01 -0.31250E+01 690 0.299E+01 0.117E+01
DAV: 7 -0.908361535146E+02 0.85695E+00 -0.18228E+00 704 0.657E+00 0.485E+00
DAV: 8 -0.904262829312E+02 0.40987E+00 -0.54888E-01 704 0.458E+00 0.180E+00
DAV: 9 -0.903348966079E+02 0.91386E-01 -0.15011E-01 720 0.220E+00 0.596E-01
DAV: 10 -0.903188142204E+02 0.16082E-01 -0.40745E-02 712 0.105E+00 0.359E-01
DAV: 11 -0.903206010882E+02 -0.17869E-02 -0.14124E-02 712 0.623E-01 0.253E-01
DAV: 12 -0.903231734121E+02 -0.25723E-02 -0.30976E-03 688 0.501E-01 0.140E-01
DAV: 13 -0.903265997553E+02 -0.34263E-02 -0.31661E-03 623 0.374E-01 0.113E-01
DAV: 14 -0.903298564914E+02 -0.32567E-02 -0.16141E-03 698 0.262E-01 0.482E-02
DAV: 15 -0.903327059222E+02 -0.28494E-02 -0.80951E-04 648 0.134E-01 0.485E-02
DAV: 16 -0.903346502292E+02 -0.19443E-02 -0.42915E-04 800 0.162E-01 0.281E-02
DAV: 17 -0.903360869776E+02 -0.14367E-02 -0.30519E-04 649 0.833E-02 0.355E-02
DAV: 18 -0.903365598740E+02 -0.47290E-03 -0.83769E-05 800 0.718E-02 0.159E-02
DAV: 19 -0.903368611089E+02 -0.30123E-03 -0.14065E-04 641 0.692E-02 0.156E-02
DAV: 20 -0.903369606910E+02 -0.99582E-04 -0.10570E-05 472 0.247E-02 0.118E-02
DAV: 21 -0.903370297873E+02 -0.69096E-04 -0.31512E-05 583 0.319E-02 0.353E-03
DAV: 22 -0.903370670842E+02 -0.37297E-04 -0.44753E-06 453 0.141E-02 0.167E-03
DAV: 23 -0.903370735233E+02 -0.64391E-05 -0.17011E-06 512 0.592E-03
1 F= -.90337074E+02 E0= -.90345331E+02 d E =0.247712E-01