./iterations/neb0_image01_iter228_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 0.365332197364E+03 0.36533E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.321555123747E+01 -0.36212E+03 -0.34904E+03 839 0.196E+02
DAV: 3 -0.954141298500E+02 -0.98630E+02 -0.98285E+02 645 0.116E+02
DAV: 4 -0.100212435710E+03 -0.47983E+01 -0.47866E+01 704 0.297E+01
DAV: 5 -0.100308350165E+03 -0.95914E-01 -0.95863E-01 728 0.377E+00 0.222E+01
DAV: 6 -0.916912455999E+02 0.86171E+01 -0.30927E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908892059845E+02 0.80204E+00 -0.18294E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905134939800E+02 0.37571E+00 -0.55208E-01 704 0.429E+00 0.167E+00
DAV: 9 -0.904306583021E+02 0.82836E-01 -0.13285E-01 712 0.165E+00 0.422E-01
DAV: 10 -0.904260940443E+02 0.45643E-02 -0.47025E-02 728 0.124E+00 0.321E-01
DAV: 11 -0.904301237443E+02 -0.40297E-02 -0.74498E-03 608 0.549E-01 0.123E-01
DAV: 12 -0.904336428374E+02 -0.35191E-02 -0.68377E-03 637 0.463E-01 0.135E-01
DAV: 13 -0.904360197550E+02 -0.23769E-02 -0.17166E-03 861 0.318E-01 0.749E-02
DAV: 14 -0.904391551290E+02 -0.31354E-02 -0.14423E-03 642 0.189E-01 0.677E-02
DAV: 15 -0.904408645042E+02 -0.17094E-02 -0.31770E-04 680 0.110E-01 0.549E-02
DAV: 16 -0.904422476205E+02 -0.13831E-02 -0.10431E-03 669 0.198E-01 0.367E-02
DAV: 17 -0.904430436632E+02 -0.79604E-03 -0.13556E-04 661 0.782E-02 0.328E-02
DAV: 18 -0.904433721663E+02 -0.32850E-03 -0.10254E-04 672 0.523E-02 0.151E-02
DAV: 19 -0.904435256072E+02 -0.15344E-03 -0.68649E-05 645 0.441E-02 0.910E-03
DAV: 20 -0.904435580095E+02 -0.32402E-04 -0.45926E-06 512 0.153E-02 0.936E-03
DAV: 21 -0.904435974217E+02 -0.39412E-04 -0.80163E-06 401 0.163E-02 0.571E-03
DAV: 22 -0.904436038535E+02 -0.64318E-05 -0.59408E-06 480 0.151E-02
1 F= -.90443604E+02 E0= -.90449299E+02 d E =0.170862E-01