./iterations/neb0_image04_iter21_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 0.363014426175E+03 0.36301E+03 -0.14274E+04 632 0.799E+02
DAV: 2 0.497970416347E+01 -0.35803E+03 -0.34558E+03 842 0.193E+02
DAV: 3 -0.937825655728E+02 -0.98762E+02 -0.98345E+02 672 0.115E+02
DAV: 4 -0.984274009452E+02 -0.46448E+01 -0.46306E+01 720 0.286E+01
DAV: 5 -0.985263692764E+02 -0.98968E-01 -0.98920E-01 728 0.368E+00 0.215E+01
DAV: 6 -0.901238677334E+02 0.84025E+01 -0.30757E+01 680 0.298E+01 0.111E+01
DAV: 7 -0.893617494181E+02 0.76212E+00 -0.16641E+00 728 0.640E+00 0.473E+00
DAV: 8 -0.889865950784E+02 0.37515E+00 -0.58375E-01 720 0.440E+00 0.171E+00
DAV: 9 -0.888977048485E+02 0.88890E-01 -0.13539E-01 728 0.166E+00 0.447E-01
DAV: 10 -0.888896213387E+02 0.80835E-02 -0.32935E-02 712 0.845E-01 0.288E-01
DAV: 11 -0.888922409244E+02 -0.26196E-02 -0.41789E-03 608 0.384E-01 0.121E-01
DAV: 12 -0.888958407426E+02 -0.35998E-02 -0.35406E-03 634 0.302E-01 0.114E-01
DAV: 13 -0.888998404342E+02 -0.39997E-02 -0.21255E-03 767 0.333E-01 0.589E-02
DAV: 14 -0.889020534680E+02 -0.22130E-02 -0.64164E-04 698 0.139E-01 0.512E-02
DAV: 15 -0.889044118918E+02 -0.23584E-02 -0.58306E-04 749 0.154E-01 0.256E-02
DAV: 16 -0.889057602845E+02 -0.13484E-02 -0.12533E-04 677 0.673E-02 0.217E-02
DAV: 17 -0.889065928849E+02 -0.83260E-03 -0.15676E-04 709 0.715E-02 0.119E-02
DAV: 18 -0.889069408285E+02 -0.34794E-03 -0.35999E-05 629 0.361E-02 0.766E-03
DAV: 19 -0.889070801107E+02 -0.13928E-03 -0.17183E-05 509 0.233E-02 0.315E-03
DAV: 20 -0.889071740124E+02 -0.93902E-04 -0.11629E-05 474 0.143E-02 0.296E-03
DAV: 21 -0.889072001143E+02 -0.26102E-04 -0.30533E-06 485 0.997E-03 0.161E-03
DAV: 22 -0.889072153181E+02 -0.15204E-04 -0.47162E-06 422 0.126E-02 0.276E-03
DAV: 23 -0.889072168436E+02 -0.15255E-05 -0.10044E-06 528 0.699E-03
1 F= -.88907217E+02 E0= -.88916460E+02 d E =0.277287E-01