iterations/neb0_image04_iter243_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 0.366677044890E+03 0.36668E+03 -0.14292E+04 624 0.799E+02
DAV: 2 0.106199978136E+01 -0.36562E+03 -0.35443E+03 869 0.195E+02
DAV: 3 -0.960963009600E+02 -0.97158E+02 -0.96870E+02 672 0.116E+02
DAV: 4 -0.100269921268E+03 -0.41736E+01 -0.41648E+01 704 0.273E+01
DAV: 5 -0.100351929788E+03 -0.82009E-01 -0.81981E-01 736 0.341E+00 0.223E+01
DAV: 6 -0.916641440543E+02 0.86878E+01 -0.31259E+01 690 0.298E+01 0.116E+01
DAV: 7 -0.908197965905E+02 0.84435E+00 -0.18161E+00 704 0.658E+00 0.485E+00
DAV: 8 -0.904114251108E+02 0.40837E+00 -0.54927E-01 704 0.457E+00 0.179E+00
DAV: 9 -0.903216307986E+02 0.89794E-01 -0.14550E-01 728 0.224E+00 0.618E-01
DAV: 10 -0.903035942482E+02 0.18037E-01 -0.42200E-02 720 0.106E+00 0.366E-01
DAV: 11 -0.903055867232E+02 -0.19925E-02 -0.16024E-02 720 0.682E-01 0.298E-01
DAV: 12 -0.903076758505E+02 -0.20891E-02 -0.41520E-03 680 0.604E-01 0.157E-01
DAV: 13 -0.903109605121E+02 -0.32847E-02 -0.33329E-03 622 0.388E-01 0.108E-01
DAV: 14 -0.903146104392E+02 -0.36499E-02 -0.17133E-03 626 0.234E-01 0.528E-02
DAV: 15 -0.903174137591E+02 -0.28033E-02 -0.77159E-04 647 0.137E-01 0.559E-02
DAV: 16 -0.903196513453E+02 -0.22376E-02 -0.59460E-04 856 0.201E-01 0.463E-02
DAV: 17 -0.903207939602E+02 -0.11426E-02 -0.25194E-04 658 0.788E-02 0.373E-02
DAV: 18 -0.903213201886E+02 -0.52623E-03 -0.14560E-04 733 0.853E-02 0.164E-02
DAV: 19 -0.903215531487E+02 -0.23296E-03 -0.64839E-05 655 0.466E-02 0.118E-02
DAV: 20 -0.903216829603E+02 -0.12981E-03 -0.10596E-05 480 0.182E-02 0.984E-03
DAV: 21 -0.903218022204E+02 -0.11926E-03 -0.30157E-05 516 0.298E-02 0.576E-03
DAV: 22 -0.903218205640E+02 -0.18344E-04 -0.39196E-06 504 0.123E-02 0.361E-03
DAV: 23 -0.903218307012E+02 -0.10137E-04 -0.31650E-06 409 0.109E-02 0.114E-03
DAV: 24 -0.903218339174E+02 -0.32162E-05 -0.63922E-07 496 0.508E-03
1 F= -.90321834E+02 E0= -.90329882E+02 d E =0.241444E-01