./iterations/neb0_image06_iter175_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 0.370604103470E+03 0.37060E+03 -0.14344E+04 640 0.799E+02
DAV: 2 0.331271849700E+01 -0.36729E+03 -0.35544E+03 877 0.193E+02
DAV: 3 -0.959747783021E+02 -0.99287E+02 -0.98945E+02 685 0.116E+02
DAV: 4 -0.100509289031E+03 -0.45345E+01 -0.45224E+01 712 0.280E+01
DAV: 5 -0.100598998884E+03 -0.89710E-01 -0.89667E-01 728 0.352E+00 0.225E+01
DAV: 6 -0.920581069714E+02 0.85409E+01 -0.30598E+01 709 0.301E+01 0.118E+01
DAV: 7 -0.912295381900E+02 0.82857E+00 -0.17170E+00 720 0.626E+00 0.480E+00
DAV: 8 -0.908523333819E+02 0.37720E+00 -0.55539E-01 712 0.414E+00 0.165E+00
DAV: 9 -0.907645829270E+02 0.87750E-01 -0.12623E-01 712 0.157E+00 0.421E-01
DAV: 10 -0.907542842351E+02 0.10299E-01 -0.37260E-02 736 0.954E-01 0.286E-01
DAV: 11 -0.907583992981E+02 -0.41151E-02 -0.93440E-03 602 0.492E-01 0.145E-01
DAV: 12 -0.907611048963E+02 -0.27056E-02 -0.20020E-03 634 0.249E-01 0.856E-02
DAV: 13 -0.907650417693E+02 -0.39369E-02 -0.15395E-03 639 0.180E-01 0.607E-02
DAV: 14 -0.907686857351E+02 -0.36440E-02 -0.12074E-03 728 0.251E-01 0.464E-02
DAV: 15 -0.907702146490E+02 -0.15289E-02 -0.31488E-04 717 0.104E-01 0.435E-02
DAV: 16 -0.907712701674E+02 -0.10555E-02 -0.34950E-04 712 0.118E-01 0.175E-02
DAV: 17 -0.907721916045E+02 -0.92144E-03 -0.13436E-04 645 0.577E-02 0.154E-02
DAV: 18 -0.907724999227E+02 -0.30832E-03 -0.27229E-05 584 0.218E-02 0.114E-02
DAV: 19 -0.907726397565E+02 -0.13983E-03 -0.26716E-05 514 0.283E-02 0.255E-03
DAV: 20 -0.907726656811E+02 -0.25925E-04 -0.45775E-06 512 0.124E-02 0.158E-03
DAV: 21 -0.907726898515E+02 -0.24170E-04 -0.32564E-06 401 0.741E-03 0.225E-03
DAV: 22 -0.907726930812E+02 -0.32297E-05 -0.54703E-07 496 0.462E-03
1 F= -.90772693E+02 E0= -.90777366E+02 d E =0.140198E-01