iterations/neb0_image04_iter112_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 0.370614064475E+03 0.37061E+03 -0.14317E+04 632 0.799E+02
DAV: 2 0.396670823412E+01 -0.36665E+03 -0.35465E+03 858 0.195E+02
DAV: 3 -0.954756089583E+02 -0.99442E+02 -0.99127E+02 680 0.116E+02
DAV: 4 -0.998890862587E+02 -0.44135E+01 -0.44027E+01 704 0.281E+01
DAV: 5 -0.999740177139E+02 -0.84931E-01 -0.84894E-01 720 0.354E+00 0.222E+01
DAV: 6 -0.914346600044E+02 0.85394E+01 -0.30017E+01 693 0.295E+01 0.116E+01
DAV: 7 -0.905759191402E+02 0.85874E+00 -0.17595E+00 712 0.628E+00 0.480E+00
DAV: 8 -0.901775164595E+02 0.39840E+00 -0.55786E-01 720 0.421E+00 0.165E+00
DAV: 9 -0.900826882070E+02 0.94828E-01 -0.13299E-01 712 0.178E+00 0.444E-01
DAV: 10 -0.900727740329E+02 0.99142E-02 -0.58815E-02 709 0.141E+00 0.355E-01
DAV: 11 -0.900769409875E+02 -0.41670E-02 -0.16332E-02 616 0.767E-01 0.154E-01
DAV: 12 -0.900781565510E+02 -0.12156E-02 -0.50346E-03 639 0.344E-01 0.146E-01
DAV: 13 -0.900815261082E+02 -0.33696E-02 -0.37303E-03 837 0.460E-01 0.811E-02
DAV: 14 -0.900854071552E+02 -0.38810E-02 -0.14209E-03 655 0.193E-01 0.701E-02
DAV: 15 -0.900874447225E+02 -0.20376E-02 -0.31372E-04 744 0.116E-01 0.376E-02
DAV: 16 -0.900892339521E+02 -0.17892E-02 -0.55016E-04 666 0.131E-01 0.290E-02
DAV: 17 -0.900902938256E+02 -0.10599E-02 -0.12742E-04 733 0.662E-02 0.184E-02
DAV: 18 -0.900907290796E+02 -0.43525E-03 -0.80021E-05 650 0.407E-02 0.958E-03
DAV: 19 -0.900908740533E+02 -0.14497E-03 -0.17297E-05 472 0.242E-02 0.284E-03
DAV: 20 -0.900909318823E+02 -0.57829E-04 -0.94581E-06 442 0.131E-02 0.443E-03
DAV: 21 -0.900909558058E+02 -0.23924E-04 -0.26797E-06 460 0.825E-03 0.229E-03
DAV: 22 -0.900909665605E+02 -0.10755E-04 -0.34118E-06 434 0.919E-03 0.183E-03
DAV: 23 -0.900909673780E+02 -0.81753E-06 -0.75328E-07 544 0.669E-03
1 F= -.90090967E+02 E0= -.90095153E+02 d E =0.125582E-01