iterations/neb0_image01_iter132_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 0.366197741505E+03 0.36620E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.333056749389E+01 -0.36287E+03 -0.34970E+03 839 0.195E+02
DAV: 3 -0.957050368020E+02 -0.99036E+02 -0.98693E+02 674 0.116E+02
DAV: 4 -0.100217433092E+03 -0.45124E+01 -0.45023E+01 704 0.282E+01
DAV: 5 -0.100307359919E+03 -0.89927E-01 -0.89879E-01 744 0.354E+00 0.222E+01
DAV: 6 -0.916819778654E+02 0.86254E+01 -0.31133E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908765830200E+02 0.80539E+00 -0.18276E+00 720 0.638E+00 0.484E+00
DAV: 8 -0.904983956477E+02 0.37819E+00 -0.55562E-01 712 0.428E+00 0.167E+00
DAV: 9 -0.904148906784E+02 0.83505E-01 -0.13568E-01 712 0.164E+00 0.425E-01
DAV: 10 -0.904098963842E+02 0.49943E-02 -0.45421E-02 712 0.123E+00 0.315E-01
DAV: 11 -0.904138404855E+02 -0.39441E-02 -0.66361E-03 608 0.490E-01 0.136E-01
DAV: 12 -0.904174492626E+02 -0.36088E-02 -0.69420E-03 629 0.484E-01 0.130E-01
DAV: 13 -0.904200243820E+02 -0.25751E-02 -0.15305E-03 848 0.313E-01 0.740E-02
DAV: 14 -0.904229949314E+02 -0.29705E-02 -0.13550E-03 642 0.175E-01 0.593E-02
DAV: 15 -0.904249645153E+02 -0.19696E-02 -0.37223E-04 672 0.115E-01 0.472E-02
DAV: 16 -0.904263352954E+02 -0.13708E-02 -0.81901E-04 653 0.170E-01 0.355E-02
DAV: 17 -0.904271031452E+02 -0.76785E-03 -0.14588E-04 741 0.869E-02 0.245E-02
DAV: 18 -0.904273210061E+02 -0.21786E-03 -0.68696E-05 664 0.408E-02 0.117E-02
DAV: 19 -0.904275172350E+02 -0.19623E-03 -0.51660E-05 633 0.357E-02 0.675E-03
DAV: 20 -0.904275368882E+02 -0.19653E-04 -0.40996E-06 528 0.147E-02 0.679E-03
DAV: 21 -0.904275760608E+02 -0.39173E-04 -0.68535E-06 398 0.149E-02 0.512E-03
DAV: 22 -0.904275898343E+02 -0.13774E-04 -0.41309E-06 477 0.144E-02 0.248E-03
DAV: 23 -0.904275916926E+02 -0.18583E-05 -0.33084E-06 528 0.106E-02
1 F= -.90427592E+02 E0= -.90432941E+02 d E =0.160491E-01