./iterations/neb0_image03_iter3_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 0.365048174668E+03 0.36505E+03 -0.14262E+04 624 0.799E+02
DAV: 2 0.487850688149E+01 -0.36017E+03 -0.34767E+03 842 0.194E+02
DAV: 3 -0.937823880072E+02 -0.98661E+02 -0.98262E+02 696 0.116E+02
DAV: 4 -0.981322429767E+02 -0.43499E+01 -0.43368E+01 720 0.269E+01
DAV: 5 -0.982249979604E+02 -0.92755E-01 -0.92714E-01 728 0.342E+00 0.221E+01
DAV: 6 -0.895358359897E+02 0.86892E+01 -0.31469E+01 704 0.299E+01 0.114E+01
DAV: 7 -0.887140225190E+02 0.82181E+00 -0.16940E+00 728 0.660E+00 0.482E+00
DAV: 8 -0.883315979883E+02 0.38242E+00 -0.65110E-01 704 0.451E+00 0.163E+00
DAV: 9 -0.882547281187E+02 0.76870E-01 -0.12708E-01 712 0.165E+00 0.458E-01
DAV: 10 -0.882476295378E+02 0.70986E-02 -0.35522E-02 712 0.979E-01 0.303E-01
DAV: 11 -0.882504851920E+02 -0.28557E-02 -0.70779E-03 677 0.524E-01 0.123E-01
DAV: 12 -0.882532359789E+02 -0.27508E-02 -0.32384E-03 624 0.285E-01 0.103E-01
DAV: 13 -0.882575244919E+02 -0.42885E-02 -0.17759E-03 748 0.284E-01 0.745E-02
DAV: 14 -0.882606061233E+02 -0.30816E-02 -0.10318E-03 666 0.142E-01 0.438E-02
DAV: 15 -0.882628677146E+02 -0.22616E-02 -0.49674E-04 709 0.131E-01 0.293E-02
DAV: 16 -0.882636604704E+02 -0.79276E-03 -0.92463E-05 776 0.720E-02 0.179E-02
DAV: 17 -0.882643543790E+02 -0.69391E-03 -0.15689E-04 706 0.726E-02 0.171E-02
DAV: 18 -0.882647678929E+02 -0.41351E-03 -0.83295E-05 690 0.539E-02 0.108E-02
DAV: 19 -0.882648966951E+02 -0.12880E-03 -0.18436E-05 464 0.286E-02 0.391E-03
DAV: 20 -0.882650133672E+02 -0.11667E-03 -0.37490E-05 572 0.288E-02 0.844E-03
DAV: 21 -0.882650230230E+02 -0.96558E-05 -0.33936E-06 528 0.146E-02
1 F= -.88265023E+02 E0= -.88268888E+02 d E =0.115964E-01