./iterations/neb0_image07_iter87_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 0.376787874834E+03 0.37679E+03 -0.14277E+04 624 0.799E+02
DAV: 2 0.347586429312E+01 -0.37331E+03 -0.36123E+03 877 0.196E+02
DAV: 3 -0.964535127689E+02 -0.99929E+02 -0.99602E+02 672 0.117E+02
DAV: 4 -0.100886918574E+03 -0.44334E+01 -0.44229E+01 696 0.283E+01
DAV: 5 -0.100975071920E+03 -0.88153E-01 -0.88115E-01 728 0.358E+00 0.226E+01
DAV: 6 -0.923646813811E+02 0.86104E+01 -0.30723E+01 709 0.302E+01 0.119E+01
DAV: 7 -0.914968643458E+02 0.86782E+00 -0.16685E+00 720 0.616E+00 0.482E+00
DAV: 8 -0.911141459814E+02 0.38272E+00 -0.57148E-01 704 0.408E+00 0.163E+00
DAV: 9 -0.910299393289E+02 0.84207E-01 -0.13163E-01 720 0.155E+00 0.429E-01
DAV: 10 -0.910202721249E+02 0.96672E-02 -0.46763E-02 709 0.109E+00 0.306E-01
DAV: 11 -0.910248897031E+02 -0.46176E-02 -0.11798E-02 608 0.564E-01 0.140E-01
DAV: 12 -0.910281377955E+02 -0.32481E-02 -0.36319E-03 627 0.281E-01 0.145E-01
DAV: 13 -0.910317553796E+02 -0.36176E-02 -0.24579E-03 741 0.310E-01 0.530E-02
DAV: 14 -0.910343740848E+02 -0.26187E-02 -0.64916E-04 645 0.119E-01 0.573E-02
DAV: 15 -0.910368377887E+02 -0.24637E-02 -0.26037E-04 653 0.802E-02 0.351E-02
DAV: 16 -0.910380264568E+02 -0.11887E-02 -0.38870E-04 677 0.972E-02 0.267E-02
DAV: 17 -0.910385773350E+02 -0.55088E-03 -0.11303E-04 640 0.687E-02 0.103E-02
DAV: 18 -0.910387279304E+02 -0.15060E-03 -0.24588E-05 560 0.258E-02 0.764E-03
DAV: 19 -0.910388084944E+02 -0.80564E-04 -0.14339E-05 445 0.242E-02 0.246E-03
DAV: 20 -0.910388486637E+02 -0.40169E-04 -0.79938E-06 469 0.145E-02 0.417E-03
DAV: 21 -0.910388587674E+02 -0.10104E-04 -0.12368E-06 456 0.653E-03 0.311E-03
DAV: 22 -0.910388683582E+02 -0.95909E-05 -0.59514E-06 389 0.176E-02
1 F= -.91038868E+02 E0= -.91043995E+02 d E =0.153790E-01