iterations/neb0_image02_iter183_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 0.366678428289E+03 0.36668E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.178473412990E+01 -0.36489E+03 -0.35357E+03 861 0.195E+02
DAV: 3 -0.958502143037E+02 -0.97635E+02 -0.97303E+02 664 0.116E+02
DAV: 4 -0.100227888970E+03 -0.43777E+01 -0.43679E+01 720 0.282E+01
DAV: 5 -0.100312304588E+03 -0.84416E-01 -0.84390E-01 752 0.353E+00 0.222E+01
DAV: 6 -0.916702227274E+02 0.86421E+01 -0.31124E+01 688 0.300E+01 0.117E+01
DAV: 7 -0.908605030138E+02 0.80972E+00 -0.18383E+00 704 0.637E+00 0.485E+00
DAV: 8 -0.904798980369E+02 0.38060E+00 -0.55171E-01 704 0.430E+00 0.170E+00
DAV: 9 -0.903925102885E+02 0.87388E-01 -0.13744E-01 712 0.168E+00 0.430E-01
DAV: 10 -0.903870007015E+02 0.55096E-02 -0.50334E-02 712 0.129E+00 0.331E-01
DAV: 11 -0.903905666722E+02 -0.35660E-02 -0.78732E-03 616 0.583E-01 0.126E-01
DAV: 12 -0.903937198072E+02 -0.31531E-02 -0.74242E-03 648 0.446E-01 0.139E-01
DAV: 13 -0.903961551258E+02 -0.24353E-02 -0.20408E-03 880 0.355E-01 0.820E-02
DAV: 14 -0.903993855450E+02 -0.32304E-02 -0.14617E-03 623 0.180E-01 0.713E-02
DAV: 15 -0.904012454240E+02 -0.18599E-02 -0.32421E-04 680 0.104E-01 0.556E-02
DAV: 16 -0.904027491521E+02 -0.15037E-02 -0.11060E-03 677 0.197E-01 0.399E-02
DAV: 17 -0.904034747026E+02 -0.72555E-03 -0.14916E-04 672 0.844E-02 0.297E-02
DAV: 18 -0.904037971010E+02 -0.32240E-03 -0.10386E-04 672 0.491E-02 0.108E-02
DAV: 19 -0.904039671707E+02 -0.17007E-03 -0.46482E-05 653 0.347E-02 0.778E-03
DAV: 20 -0.904039948359E+02 -0.27665E-04 -0.41255E-06 520 0.150E-02 0.624E-03
DAV: 21 -0.904040425902E+02 -0.47754E-04 -0.88716E-06 417 0.152E-02 0.398E-03
DAV: 22 -0.904040528618E+02 -0.10272E-04 -0.48258E-06 488 0.130E-02 0.257E-03
DAV: 23 -0.904040544982E+02 -0.16363E-05 -0.16176E-06 536 0.804E-03
1 F= -.90404054E+02 E0= -.90410584E+02 d E =0.195885E-01