iterations/neb0_image09_iter134_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 0.374363790933E+03 0.37436E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.244661855966E+01 -0.37192E+03 -0.35964E+03 877 0.196E+02
DAV: 3 -0.968053475431E+02 -0.99252E+02 -0.98915E+02 664 0.116E+02
DAV: 4 -0.101239959235E+03 -0.44346E+01 -0.44252E+01 704 0.285E+01
DAV: 5 -0.101326754743E+03 -0.86796E-01 -0.86757E-01 736 0.361E+00 0.227E+01
DAV: 6 -0.926737461220E+02 0.86530E+01 -0.30896E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.918062627123E+02 0.86748E+00 -0.17084E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914291432831E+02 0.37712E+00 -0.54609E-01 712 0.396E+00 0.163E+00
DAV: 9 -0.913472613317E+02 0.81882E-01 -0.13050E-01 712 0.155E+00 0.424E-01
DAV: 10 -0.913384901576E+02 0.87712E-02 -0.45362E-02 768 0.112E+00 0.302E-01
DAV: 11 -0.913427718278E+02 -0.42817E-02 -0.12138E-02 624 0.574E-01 0.135E-01
DAV: 12 -0.913459026125E+02 -0.31308E-02 -0.30063E-03 626 0.248E-01 0.116E-01
DAV: 13 -0.913496004126E+02 -0.36978E-02 -0.13630E-03 717 0.208E-01 0.432E-02
DAV: 14 -0.913527482550E+02 -0.31478E-02 -0.60303E-04 672 0.125E-01 0.392E-02
DAV: 15 -0.913544964747E+02 -0.17482E-02 -0.16265E-04 688 0.791E-02 0.347E-02
DAV: 16 -0.913557941017E+02 -0.12976E-02 -0.34501E-04 671 0.902E-02 0.204E-02
DAV: 17 -0.913561640682E+02 -0.36997E-03 -0.90228E-05 752 0.665E-02 0.128E-02
DAV: 18 -0.913563845862E+02 -0.22052E-03 -0.33422E-05 562 0.257E-02 0.110E-02
DAV: 19 -0.913564391313E+02 -0.54545E-04 -0.11319E-05 496 0.192E-02 0.432E-03
DAV: 20 -0.913564726559E+02 -0.33525E-04 -0.75714E-06 413 0.166E-02 0.182E-03
DAV: 21 -0.913564895012E+02 -0.16845E-04 -0.28810E-06 461 0.771E-03 0.229E-03
DAV: 22 -0.913564949380E+02 -0.54368E-05 -0.70027E-07 450 0.453E-03
1 F= -.91356495E+02 E0= -.91361296E+02 d E =0.144036E-01