./iterations/neb0_image02_iter153_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 0.363921386246E+03 0.36392E+03 -0.14329E+04 632 0.799E+02
DAV: 2 0.271891030866E+01 -0.36120E+03 -0.34819E+03 845 0.195E+02
DAV: 3 -0.955694299065E+02 -0.98288E+02 -0.97954E+02 656 0.116E+02
DAV: 4 -0.100208966894E+03 -0.46395E+01 -0.46281E+01 720 0.290E+01
DAV: 5 -0.100299901108E+03 -0.90934E-01 -0.90902E-01 752 0.366E+00 0.222E+01
DAV: 6 -0.916747122053E+02 0.86252E+01 -0.30978E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908610214451E+02 0.81369E+00 -0.18408E+00 704 0.638E+00 0.484E+00
DAV: 8 -0.904799689486E+02 0.38105E+00 -0.55806E-01 696 0.431E+00 0.169E+00
DAV: 9 -0.903929921371E+02 0.86977E-01 -0.13723E-01 704 0.167E+00 0.431E-01
DAV: 10 -0.903872599716E+02 0.57322E-02 -0.49058E-02 704 0.129E+00 0.328E-01
DAV: 11 -0.903907608389E+02 -0.35009E-02 -0.73970E-03 616 0.529E-01 0.138E-01
DAV: 12 -0.903940397127E+02 -0.32789E-02 -0.74743E-03 632 0.469E-01 0.135E-01
DAV: 13 -0.903966108390E+02 -0.25711E-02 -0.18021E-03 925 0.347E-01 0.829E-02
DAV: 14 -0.903997124120E+02 -0.31016E-02 -0.13952E-03 642 0.176E-01 0.649E-02
DAV: 15 -0.904017454203E+02 -0.20330E-02 -0.38456E-04 669 0.111E-01 0.503E-02
DAV: 16 -0.904032166944E+02 -0.14713E-02 -0.89361E-04 664 0.175E-01 0.363E-02
DAV: 17 -0.904040288993E+02 -0.81220E-03 -0.15624E-04 720 0.857E-02 0.244E-02
DAV: 18 -0.904042889836E+02 -0.26008E-03 -0.70250E-05 672 0.394E-02 0.107E-02
DAV: 19 -0.904044707326E+02 -0.18175E-03 -0.46599E-05 634 0.344E-02 0.687E-03
DAV: 20 -0.904044924295E+02 -0.21697E-04 -0.46230E-06 504 0.168E-02 0.571E-03
DAV: 21 -0.904045337730E+02 -0.41344E-04 -0.75962E-06 422 0.147E-02 0.473E-03
DAV: 22 -0.904045498032E+02 -0.16030E-04 -0.35987E-06 480 0.132E-02 0.230E-03
DAV: 23 -0.904045518755E+02 -0.20723E-05 -0.34684E-06 536 0.108E-02
1 F= -.90404552E+02 E0= -.90410777E+02 d E =0.186764E-01