iterations/neb0_image08_iter214_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 0.373463723753E+03 0.37346E+03 -0.14279E+04 624 0.799E+02
DAV: 2 0.350955387530E+01 -0.36995E+03 -0.35751E+03 869 0.196E+02
DAV: 3 -0.967423302095E+02 -0.10025E+03 -0.99941E+02 669 0.116E+02
DAV: 4 -0.101249208695E+03 -0.45069E+01 -0.44937E+01 720 0.284E+01
DAV: 5 -0.101336860323E+03 -0.87652E-01 -0.87598E-01 736 0.359E+00 0.227E+01
DAV: 6 -0.926532707228E+02 0.86836E+01 -0.31067E+01 717 0.301E+01 0.119E+01
DAV: 7 -0.917899154892E+02 0.86336E+00 -0.17347E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914146390943E+02 0.37528E+00 -0.53821E-01 720 0.393E+00 0.162E+00
DAV: 9 -0.913343429413E+02 0.80296E-01 -0.13321E-01 728 0.155E+00 0.420E-01
DAV: 10 -0.913265857576E+02 0.77572E-02 -0.46087E-02 752 0.111E+00 0.304E-01
DAV: 11 -0.913315941477E+02 -0.50084E-02 -0.15123E-02 616 0.641E-01 0.157E-01
DAV: 12 -0.913343349218E+02 -0.27408E-02 -0.29267E-03 633 0.241E-01 0.112E-01
DAV: 13 -0.913379300997E+02 -0.35952E-02 -0.24271E-03 642 0.258E-01 0.513E-02
DAV: 14 -0.913412279239E+02 -0.32978E-02 -0.91317E-04 653 0.183E-01 0.325E-02
DAV: 15 -0.913423597564E+02 -0.11318E-02 -0.20817E-04 696 0.852E-02 0.245E-02
DAV: 16 -0.913433046174E+02 -0.94486E-03 -0.16677E-04 645 0.784E-02 0.112E-02
DAV: 17 -0.913439210956E+02 -0.61648E-03 -0.56581E-05 650 0.345E-02 0.133E-02
DAV: 18 -0.913441145556E+02 -0.19346E-03 -0.22503E-05 568 0.284E-02 0.624E-03
DAV: 19 -0.913442496287E+02 -0.13507E-03 -0.24482E-05 497 0.229E-02 0.498E-03
DAV: 20 -0.913442655013E+02 -0.15873E-04 -0.19917E-06 520 0.105E-02 0.278E-03
DAV: 21 -0.913442819281E+02 -0.16427E-04 -0.59935E-06 392 0.149E-02 0.276E-03
DAV: 22 -0.913442842929E+02 -0.23648E-05 -0.98063E-07 496 0.835E-03
1 F= -.91344284E+02 E0= -.91349220E+02 d E =0.148062E-01