iterations/neb0_image08_iter253_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 0.374438116451E+03 0.37444E+03 -0.14285E+04 624 0.799E+02
DAV: 2 0.392710366036E+01 -0.37051E+03 -0.35812E+03 869 0.196E+02
DAV: 3 -0.966622308303E+02 -0.10059E+03 -0.10027E+03 661 0.117E+02
DAV: 4 -0.101278520749E+03 -0.46163E+01 -0.46044E+01 720 0.289E+01
DAV: 5 -0.101368651350E+03 -0.90131E-01 -0.90080E-01 736 0.366E+00 0.228E+01
DAV: 6 -0.926624941556E+02 0.87062E+01 -0.31009E+01 725 0.301E+01 0.119E+01
DAV: 7 -0.917931306669E+02 0.86936E+00 -0.17259E+00 728 0.613E+00 0.480E+00
DAV: 8 -0.914182404463E+02 0.37489E+00 -0.54034E-01 720 0.395E+00 0.162E+00
DAV: 9 -0.913378815671E+02 0.80359E-01 -0.13212E-01 736 0.155E+00 0.420E-01
DAV: 10 -0.913296712597E+02 0.82103E-02 -0.45607E-02 736 0.109E+00 0.305E-01
DAV: 11 -0.913345997160E+02 -0.49285E-02 -0.15028E-02 616 0.636E-01 0.159E-01
DAV: 12 -0.913373940471E+02 -0.27943E-02 -0.28067E-03 626 0.228E-01 0.116E-01
DAV: 13 -0.913411618336E+02 -0.37678E-02 -0.29992E-03 642 0.286E-01 0.597E-02
DAV: 14 -0.913441952315E+02 -0.30334E-02 -0.84495E-04 664 0.168E-01 0.242E-02
DAV: 15 -0.913457548679E+02 -0.15596E-02 -0.16796E-04 664 0.648E-02 0.167E-02
DAV: 16 -0.913468084832E+02 -0.10536E-02 -0.12139E-04 653 0.589E-02 0.973E-03
DAV: 17 -0.913472463401E+02 -0.43786E-03 -0.39720E-05 608 0.265E-02 0.936E-03
DAV: 18 -0.913473931146E+02 -0.14677E-03 -0.15230E-05 480 0.253E-02 0.358E-03
DAV: 19 -0.913474827375E+02 -0.89623E-04 -0.17415E-05 490 0.175E-02 0.454E-03
DAV: 20 -0.913474897834E+02 -0.70459E-05 -0.13074E-06 528 0.976E-03
1 F= -.91347490E+02 E0= -.91352587E+02 d E =0.152908E-01