iterations/neb0_image02_iter141_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 0.363917933759E+03 0.36392E+03 -0.14326E+04 632 0.799E+02
DAV: 2 0.215611261629E+01 -0.36176E+03 -0.34918E+03 853 0.194E+02
DAV: 3 -0.956256650590E+02 -0.97782E+02 -0.97462E+02 656 0.115E+02
DAV: 4 -0.100188334889E+03 -0.45627E+01 -0.45520E+01 712 0.288E+01
DAV: 5 -0.100277246201E+03 -0.88911E-01 -0.88876E-01 728 0.362E+00 0.222E+01
DAV: 6 -0.916696205666E+02 0.86076E+01 -0.31001E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908579190967E+02 0.81170E+00 -0.18359E+00 704 0.637E+00 0.483E+00
DAV: 8 -0.904766538393E+02 0.38127E+00 -0.55715E-01 704 0.428E+00 0.169E+00
DAV: 9 -0.903892182207E+02 0.87436E-01 -0.13813E-01 712 0.166E+00 0.433E-01
DAV: 10 -0.903835568560E+02 0.56614E-02 -0.50072E-02 704 0.133E+00 0.330E-01
DAV: 11 -0.903868411254E+02 -0.32843E-02 -0.70785E-03 608 0.508E-01 0.158E-01
DAV: 12 -0.903902700587E+02 -0.34289E-02 -0.87400E-03 624 0.522E-01 0.141E-01
DAV: 13 -0.903929918300E+02 -0.27218E-02 -0.19839E-03 912 0.363E-01 0.835E-02
DAV: 14 -0.903959412320E+02 -0.29494E-02 -0.13760E-03 648 0.176E-01 0.638E-02
DAV: 15 -0.903981445833E+02 -0.22034E-02 -0.41458E-04 664 0.110E-01 0.484E-02
DAV: 16 -0.903996117476E+02 -0.14672E-02 -0.73882E-04 664 0.158E-01 0.316E-02
DAV: 17 -0.904004855961E+02 -0.87385E-03 -0.13538E-04 672 0.734E-02 0.253E-02
DAV: 18 -0.904007000939E+02 -0.21450E-03 -0.67057E-05 680 0.414E-02 0.108E-02
DAV: 19 -0.904008833233E+02 -0.18323E-03 -0.40335E-05 629 0.332E-02 0.608E-03
DAV: 20 -0.904009218819E+02 -0.38559E-04 -0.37254E-06 480 0.148E-02 0.560E-03
DAV: 21 -0.904009517630E+02 -0.29881E-04 -0.86316E-06 440 0.175E-02 0.712E-03
DAV: 22 -0.904009699467E+02 -0.18184E-04 -0.41317E-06 472 0.150E-02 0.352E-03
DAV: 23 -0.904009783931E+02 -0.84464E-05 -0.70510E-06 440 0.144E-02
1 F= -.90400978E+02 E0= -.90407392E+02 d E =0.192396E-01