iterations/neb0_image06_iter76_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 0.376327267921E+03 0.37633E+03 -0.14315E+04 632 0.799E+02
DAV: 2 0.420544595842E+01 -0.37212E+03 -0.35980E+03 869 0.195E+02
DAV: 3 -0.956004608603E+02 -0.99806E+02 -0.99485E+02 656 0.117E+02
DAV: 4 -0.100161097088E+03 -0.45606E+01 -0.45497E+01 704 0.291E+01
DAV: 5 -0.100254547388E+03 -0.93450E-01 -0.93413E-01 720 0.370E+00 0.227E+01
DAV: 6 -0.916059419186E+02 0.86486E+01 -0.30813E+01 685 0.306E+01 0.118E+01
DAV: 7 -0.907567527430E+02 0.84919E+00 -0.17017E+00 720 0.624E+00 0.481E+00
DAV: 8 -0.903725860668E+02 0.38417E+00 -0.52716E-01 704 0.402E+00 0.166E+00
DAV: 9 -0.902819381376E+02 0.90648E-01 -0.13098E-01 720 0.161E+00 0.425E-01
DAV: 10 -0.902722095719E+02 0.97286E-02 -0.41576E-02 720 0.105E+00 0.303E-01
DAV: 11 -0.902765938915E+02 -0.43843E-02 -0.11355E-02 621 0.668E-01 0.155E-01
DAV: 12 -0.902783042516E+02 -0.17104E-02 -0.26604E-03 642 0.285E-01 0.115E-01
DAV: 13 -0.902827912294E+02 -0.44870E-02 -0.26576E-03 640 0.321E-01 0.843E-02
DAV: 14 -0.902846134366E+02 -0.18222E-02 -0.42167E-04 720 0.143E-01 0.525E-02
DAV: 15 -0.902878942364E+02 -0.32808E-02 -0.99378E-04 629 0.179E-01 0.376E-02
DAV: 16 -0.902895225871E+02 -0.16284E-02 -0.22093E-04 680 0.926E-02 0.222E-02
DAV: 17 -0.902900742706E+02 -0.55168E-03 -0.11810E-04 768 0.658E-02 0.145E-02
DAV: 18 -0.902907502284E+02 -0.67596E-03 -0.13904E-04 652 0.757E-02 0.149E-02
DAV: 19 -0.902908327688E+02 -0.82540E-04 -0.17865E-05 496 0.323E-02 0.119E-02
DAV: 20 -0.902909131423E+02 -0.80374E-04 -0.37363E-05 567 0.374E-02 0.396E-03
DAV: 21 -0.902909621116E+02 -0.48969E-04 -0.67820E-06 469 0.157E-02 0.434E-03
DAV: 22 -0.902909912607E+02 -0.29149E-04 -0.31491E-06 430 0.787E-03 0.427E-03
DAV: 23 -0.902910000965E+02 -0.88358E-05 -0.27478E-06 450 0.130E-02
1 F= -.90291000E+02 E0= -.90298913E+02 d E =0.237393E-01