iterations/neb0_image01_iter296_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 0.363682491363E+03 0.36368E+03 -0.14335E+04 632 0.799E+02
DAV: 2 0.315967386078E+01 -0.36052E+03 -0.34821E+03 828 0.195E+02
DAV: 3 -0.956938510335E+02 -0.98854E+02 -0.98516E+02 666 0.116E+02
DAV: 4 -0.100263815895E+03 -0.45700E+01 -0.45571E+01 696 0.283E+01
DAV: 5 -0.100351670184E+03 -0.87854E-01 -0.87808E-01 728 0.355E+00 0.223E+01
DAV: 6 -0.917144859473E+02 0.86372E+01 -0.30862E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908920299318E+02 0.82246E+00 -0.18519E+00 720 0.638E+00 0.484E+00
DAV: 8 -0.905106578459E+02 0.38137E+00 -0.56051E-01 696 0.432E+00 0.168E+00
DAV: 9 -0.904251336302E+02 0.85524E-01 -0.13605E-01 712 0.164E+00 0.428E-01
DAV: 10 -0.904197000674E+02 0.54336E-02 -0.45420E-02 701 0.125E+00 0.317E-01
DAV: 11 -0.904234244694E+02 -0.37244E-02 -0.64740E-03 608 0.478E-01 0.146E-01
DAV: 12 -0.904269150551E+02 -0.34906E-02 -0.73218E-03 628 0.495E-01 0.131E-01
DAV: 13 -0.904296422773E+02 -0.27272E-02 -0.16137E-03 885 0.321E-01 0.763E-02
DAV: 14 -0.904326974860E+02 -0.30552E-02 -0.12676E-03 639 0.164E-01 0.558E-02
DAV: 15 -0.904348568136E+02 -0.21593E-02 -0.37143E-04 680 0.107E-01 0.432E-02
DAV: 16 -0.904364048164E+02 -0.15480E-02 -0.71023E-04 650 0.155E-01 0.330E-02
DAV: 17 -0.904371358879E+02 -0.73107E-03 -0.13937E-04 736 0.857E-02 0.208E-02
DAV: 18 -0.904373692514E+02 -0.23336E-03 -0.82519E-05 648 0.438E-02 0.854E-03
DAV: 19 -0.904375182506E+02 -0.14900E-03 -0.25187E-05 522 0.249E-02 0.458E-03
DAV: 20 -0.904375481094E+02 -0.29859E-04 -0.31642E-06 480 0.106E-02 0.517E-03
DAV: 21 -0.904375857335E+02 -0.37624E-04 -0.56843E-06 409 0.131E-02 0.323E-03
DAV: 22 -0.904375938792E+02 -0.81457E-05 -0.31562E-06 480 0.108E-02
1 F= -.90437594E+02 E0= -.90443410E+02 d E =0.174477E-01