iterations/neb0_image07_iter131_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 0.375625259160E+03 0.37563E+03 -0.14276E+04 624 0.799E+02
DAV: 2 0.346098385399E+01 -0.37216E+03 -0.35955E+03 877 0.195E+02
DAV: 3 -0.965793752927E+02 -0.10004E+03 -0.99720E+02 677 0.117E+02
DAV: 4 -0.101003132402E+03 -0.44238E+01 -0.44108E+01 720 0.279E+01
DAV: 5 -0.101090654624E+03 -0.87522E-01 -0.87488E-01 736 0.353E+00 0.226E+01
DAV: 6 -0.925205911285E+02 0.85701E+01 -0.30753E+01 712 0.302E+01 0.118E+01
DAV: 7 -0.916752143980E+02 0.84538E+00 -0.16587E+00 728 0.612E+00 0.480E+00
DAV: 8 -0.912990705330E+02 0.37614E+00 -0.54813E-01 712 0.399E+00 0.163E+00
DAV: 9 -0.912164527419E+02 0.82618E-01 -0.12984E-01 712 0.155E+00 0.423E-01
DAV: 10 -0.912072547383E+02 0.91980E-02 -0.45618E-02 749 0.109E+00 0.303E-01
DAV: 11 -0.912122096311E+02 -0.49549E-02 -0.13488E-02 608 0.608E-01 0.154E-01
DAV: 12 -0.912148820296E+02 -0.26724E-02 -0.27533E-03 647 0.242E-01 0.126E-01
DAV: 13 -0.912186497758E+02 -0.37677E-02 -0.20755E-03 648 0.263E-01 0.491E-02
DAV: 14 -0.912211995020E+02 -0.25497E-02 -0.46096E-04 669 0.109E-01 0.387E-02
DAV: 15 -0.912237043584E+02 -0.25049E-02 -0.25416E-04 640 0.728E-02 0.345E-02
DAV: 16 -0.912246077142E+02 -0.90336E-03 -0.24901E-04 688 0.765E-02 0.165E-02
DAV: 17 -0.912251963866E+02 -0.58867E-03 -0.64959E-05 640 0.417E-02 0.108E-02
DAV: 18 -0.912253801725E+02 -0.18379E-03 -0.20552E-05 528 0.215E-02 0.669E-03
DAV: 19 -0.912254296576E+02 -0.49485E-04 -0.95616E-06 480 0.207E-02 0.374E-03
DAV: 20 -0.912254535866E+02 -0.23929E-04 -0.53325E-06 450 0.142E-02 0.428E-03
DAV: 21 -0.912254796291E+02 -0.26042E-04 -0.37414E-06 407 0.102E-02 0.263E-03
DAV: 22 -0.912254844070E+02 -0.47779E-05 -0.24849E-06 472 0.943E-03
1 F= -.91225484E+02 E0= -.91230860E+02 d E =0.161264E-01