./iterations/neb0_image05_iter53_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 0.373183880250E+03 0.37318E+03 -0.14311E+04 632 0.799E+02
DAV: 2 0.416638713866E+01 -0.36902E+03 -0.35705E+03 874 0.195E+02
DAV: 3 -0.937177697874E+02 -0.97884E+02 -0.97538E+02 640 0.116E+02
DAV: 4 -0.984365086294E+02 -0.47187E+01 -0.47049E+01 728 0.299E+01
DAV: 5 -0.985375102527E+02 -0.10100E+00 -0.10096E+00 712 0.390E+00 0.219E+01
DAV: 6 -0.902912524911E+02 0.82463E+01 -0.28798E+01 704 0.290E+01 0.113E+01
DAV: 7 -0.894465085611E+02 0.84474E+00 -0.17482E+00 720 0.651E+00 0.466E+00
DAV: 8 -0.890683079299E+02 0.37820E+00 -0.59989E-01 696 0.429E+00 0.157E+00
DAV: 9 -0.889827014828E+02 0.85606E-01 -0.12758E-01 712 0.159E+00 0.435E-01
DAV: 10 -0.889719768152E+02 0.10725E-01 -0.38434E-02 733 0.105E+00 0.306E-01
DAV: 11 -0.889743684223E+02 -0.23916E-02 -0.86829E-03 616 0.531E-01 0.122E-01
DAV: 12 -0.889769364258E+02 -0.25680E-02 -0.24984E-03 658 0.261E-01 0.976E-02
DAV: 13 -0.889820537337E+02 -0.51173E-02 -0.13482E-03 650 0.232E-01 0.694E-02
DAV: 14 -0.889847066873E+02 -0.26530E-02 -0.83329E-04 674 0.145E-01 0.321E-02
DAV: 15 -0.889875173030E+02 -0.28106E-02 -0.46305E-04 685 0.116E-01 0.271E-02
DAV: 16 -0.889885622795E+02 -0.10450E-02 -0.83489E-05 733 0.569E-02 0.130E-02
DAV: 17 -0.889895598959E+02 -0.99762E-03 -0.14787E-04 644 0.567E-02 0.127E-02
DAV: 18 -0.889898068964E+02 -0.24700E-03 -0.33076E-05 616 0.437E-02 0.734E-03
DAV: 19 -0.889898960952E+02 -0.89199E-04 -0.18960E-05 482 0.271E-02 0.586E-03
DAV: 20 -0.889899867844E+02 -0.90689E-04 -0.16601E-05 443 0.241E-02 0.463E-03
DAV: 21 -0.889900108937E+02 -0.24109E-04 -0.47926E-06 504 0.135E-02 0.294E-03
DAV: 22 -0.889900188379E+02 -0.79442E-05 -0.40380E-06 453 0.118E-02
1 F= -.88990019E+02 E0= -.88993892E+02 d E =0.116186E-01