iterations/neb0_image07_iter178_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 0.371152540357E+03 0.37115E+03 -0.14322E+04 632 0.799E+02
DAV: 2 0.323493333896E+01 -0.36792E+03 -0.35527E+03 869 0.194E+02
DAV: 3 -0.962651344348E+02 -0.99500E+02 -0.99176E+02 664 0.116E+02
DAV: 4 -0.101016931897E+03 -0.47518E+01 -0.47402E+01 696 0.291E+01
DAV: 5 -0.101115765664E+03 -0.98834E-01 -0.98770E-01 736 0.375E+00 0.226E+01
DAV: 6 -0.925502848096E+02 0.85655E+01 -0.30465E+01 736 0.299E+01 0.119E+01
DAV: 7 -0.917031337222E+02 0.84715E+00 -0.17191E+00 720 0.615E+00 0.478E+00
DAV: 8 -0.913340268609E+02 0.36911E+00 -0.52964E-01 728 0.396E+00 0.163E+00
DAV: 9 -0.912530277489E+02 0.80999E-01 -0.13042E-01 728 0.157E+00 0.420E-01
DAV: 10 -0.912446000124E+02 0.84277E-02 -0.42019E-02 744 0.108E+00 0.295E-01
DAV: 11 -0.912488141469E+02 -0.42141E-02 -0.11493E-02 608 0.561E-01 0.136E-01
DAV: 12 -0.912518202789E+02 -0.30061E-02 -0.27458E-03 645 0.270E-01 0.917E-02
DAV: 13 -0.912554688410E+02 -0.36486E-02 -0.11335E-03 642 0.170E-01 0.525E-02
DAV: 14 -0.912586063466E+02 -0.31375E-02 -0.71894E-04 794 0.195E-01 0.383E-02
DAV: 15 -0.912599374769E+02 -0.13311E-02 -0.26977E-04 688 0.107E-01 0.336E-02
DAV: 16 -0.912611569574E+02 -0.12195E-02 -0.18455E-04 666 0.685E-02 0.132E-02
DAV: 17 -0.912619163988E+02 -0.75944E-03 -0.79965E-05 693 0.414E-02 0.118E-02
DAV: 18 -0.912622380525E+02 -0.32165E-03 -0.39659E-05 616 0.359E-02 0.541E-03
DAV: 19 -0.912623252281E+02 -0.87176E-04 -0.85427E-06 448 0.153E-02 0.422E-03
DAV: 20 -0.912623455569E+02 -0.20329E-04 -0.45913E-06 504 0.137E-02 0.185E-03
DAV: 21 -0.912623626694E+02 -0.17113E-04 -0.21969E-06 407 0.770E-03 0.133E-03
DAV: 22 -0.912623722709E+02 -0.96015E-05 -0.14358E-06 419 0.456E-03
1 F= -.91262372E+02 E0= -.91267837E+02 d E =0.163954E-01