iterations/neb0_image06_iter295_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 0.375741034427E+03 0.37574E+03 -0.14333E+04 632 0.799E+02
DAV: 2 0.565010620273E+01 -0.37009E+03 -0.35753E+03 866 0.195E+02
DAV: 3 -0.942681125543E+02 -0.99918E+02 -0.99514E+02 656 0.116E+02
DAV: 4 -0.989934815518E+02 -0.47254E+01 -0.47051E+01 720 0.293E+01
DAV: 5 -0.990885173007E+02 -0.95036E-01 -0.94985E-01 720 0.377E+00 0.222E+01
DAV: 6 -0.906989778597E+02 0.83895E+01 -0.29758E+01 696 0.303E+01 0.116E+01
DAV: 7 -0.898752196176E+02 0.82376E+00 -0.17208E+00 728 0.642E+00 0.482E+00
DAV: 8 -0.894802770149E+02 0.39494E+00 -0.58060E-01 712 0.423E+00 0.161E+00
DAV: 9 -0.893872335941E+02 0.93043E-01 -0.13011E-01 712 0.164E+00 0.442E-01
DAV: 10 -0.893762625036E+02 0.10971E-01 -0.36816E-02 696 0.962E-01 0.298E-01
DAV: 11 -0.893793843141E+02 -0.31218E-02 -0.10591E-02 608 0.567E-01 0.163E-01
DAV: 12 -0.893810808352E+02 -0.16965E-02 -0.31637E-03 680 0.368E-01 0.956E-02
DAV: 13 -0.893856805610E+02 -0.45997E-02 -0.31983E-03 631 0.289E-01 0.970E-02
DAV: 14 -0.893883246727E+02 -0.26441E-02 -0.11460E-03 808 0.261E-01 0.340E-02
DAV: 15 -0.893912636728E+02 -0.29390E-02 -0.54972E-04 628 0.119E-01 0.389E-02
DAV: 16 -0.893932737513E+02 -0.20101E-02 -0.22287E-04 693 0.822E-02 0.203E-02
DAV: 17 -0.893944917037E+02 -0.12180E-02 -0.27162E-04 661 0.826E-02 0.201E-02
DAV: 18 -0.893947721631E+02 -0.28046E-03 -0.33339E-05 608 0.424E-02 0.874E-03
DAV: 19 -0.893949022738E+02 -0.13011E-03 -0.33505E-05 568 0.296E-02 0.375E-03
DAV: 20 -0.893949487588E+02 -0.46485E-04 -0.31147E-06 466 0.956E-03 0.301E-03
DAV: 21 -0.893949738985E+02 -0.25140E-04 -0.31145E-06 424 0.815E-03 0.159E-03
DAV: 22 -0.893949838228E+02 -0.99243E-05 -0.18441E-06 466 0.648E-03
1 F= -.89394984E+02 E0= -.89401359E+02 d E =0.191246E-01