iterations/neb0_image05_iter189_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 0.368212819650E+03 0.36821E+03 -0.14293E+04 624 0.799E+02
DAV: 2 0.316763394017E+01 -0.36505E+03 -0.35221E+03 864 0.195E+02
DAV: 3 -0.953624091038E+02 -0.98530E+02 -0.98198E+02 669 0.116E+02
DAV: 4 -0.999408015564E+02 -0.45784E+01 -0.45671E+01 712 0.284E+01
DAV: 5 -0.100034102439E+03 -0.93301E-01 -0.93255E-01 720 0.358E+00 0.221E+01
DAV: 6 -0.915313756674E+02 0.85027E+01 -0.30854E+01 680 0.299E+01 0.116E+01
DAV: 7 -0.907604252616E+02 0.77095E+00 -0.18757E+00 720 0.643E+00 0.482E+00
DAV: 8 -0.903883789882E+02 0.37205E+00 -0.52806E-01 720 0.424E+00 0.171E+00
DAV: 9 -0.902987668251E+02 0.89612E-01 -0.13933E-01 720 0.170E+00 0.433E-01
DAV: 10 -0.902910630505E+02 0.77038E-02 -0.45340E-02 768 0.125E+00 0.317E-01
DAV: 11 -0.902944172147E+02 -0.33542E-02 -0.69502E-03 624 0.514E-01 0.143E-01
DAV: 12 -0.902969617291E+02 -0.25445E-02 -0.58033E-03 613 0.446E-01 0.114E-01
DAV: 13 -0.902999241135E+02 -0.29624E-02 -0.10699E-03 752 0.247E-01 0.811E-02
DAV: 14 -0.903032841840E+02 -0.33601E-02 -0.16385E-03 649 0.186E-01 0.552E-02
DAV: 15 -0.903061843812E+02 -0.29002E-02 -0.63509E-04 744 0.165E-01 0.404E-02
DAV: 16 -0.903074067080E+02 -0.12223E-02 -0.47435E-04 688 0.113E-01 0.340E-02
DAV: 17 -0.903082003801E+02 -0.79367E-03 -0.18809E-04 725 0.897E-02 0.232E-02
DAV: 18 -0.903083213732E+02 -0.12099E-03 -0.62886E-05 728 0.417E-02 0.155E-02
DAV: 19 -0.903085323638E+02 -0.21099E-03 -0.29705E-05 570 0.293E-02 0.538E-03
DAV: 20 -0.903086530804E+02 -0.12072E-03 -0.13457E-05 469 0.176E-02 0.301E-03
DAV: 21 -0.903086927908E+02 -0.39710E-04 -0.69654E-06 464 0.107E-02 0.317E-03
DAV: 22 -0.903087034983E+02 -0.10708E-04 -0.18854E-06 456 0.691E-03 0.150E-03
DAV: 23 -0.903087071087E+02 -0.36104E-05 -0.17295E-06 480 0.773E-03
1 F= -.90308707E+02 E0= -.90316321E+02 d E =0.228425E-01