iterations/neb0_image03_iter240_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 0.363050406251E+03 0.36305E+03 -0.14323E+04 632 0.799E+02
DAV: 2 0.129102647288E+01 -0.36176E+03 -0.35062E+03 842 0.195E+02
DAV: 3 -0.959225759367E+02 -0.97214E+02 -0.96882E+02 672 0.115E+02
DAV: 4 -0.100282403827E+03 -0.43598E+01 -0.43480E+01 704 0.278E+01
DAV: 5 -0.100368423049E+03 -0.86019E-01 -0.85987E-01 728 0.350E+00 0.222E+01
DAV: 6 -0.917227709523E+02 0.86457E+01 -0.31204E+01 669 0.299E+01 0.117E+01
DAV: 7 -0.908820285825E+02 0.84074E+00 -0.17858E+00 720 0.633E+00 0.484E+00
DAV: 8 -0.904893302697E+02 0.39270E+00 -0.56163E-01 704 0.429E+00 0.169E+00
DAV: 9 -0.903979527411E+02 0.91378E-01 -0.13037E-01 720 0.168E+00 0.435E-01
DAV: 10 -0.903910981810E+02 0.68546E-02 -0.45173E-02 704 0.114E+00 0.330E-01
DAV: 11 -0.903957288926E+02 -0.46307E-02 -0.83154E-03 624 0.622E-01 0.121E-01
DAV: 12 -0.903983429421E+02 -0.26140E-02 -0.38423E-03 632 0.306E-01 0.106E-01
DAV: 13 -0.904030739844E+02 -0.47310E-02 -0.18741E-03 682 0.257E-01 0.875E-02
DAV: 14 -0.904061204397E+02 -0.30465E-02 -0.10153E-03 680 0.151E-01 0.423E-02
DAV: 15 -0.904083100863E+02 -0.21896E-02 -0.32821E-04 669 0.877E-02 0.231E-02
DAV: 16 -0.904097489934E+02 -0.14389E-02 -0.19102E-04 664 0.619E-02 0.154E-02
DAV: 17 -0.904103399618E+02 -0.59097E-03 -0.57332E-05 616 0.394E-02 0.869E-03
DAV: 18 -0.904106370974E+02 -0.29714E-03 -0.56097E-05 650 0.336E-02 0.971E-03
DAV: 19 -0.904106655542E+02 -0.28457E-04 -0.91325E-06 544 0.246E-02 0.371E-03
DAV: 20 -0.904107310768E+02 -0.65523E-04 -0.10858E-05 418 0.169E-02 0.261E-03
DAV: 21 -0.904107661626E+02 -0.35086E-04 -0.62884E-06 469 0.968E-03 0.291E-03
DAV: 22 -0.904107688714E+02 -0.27088E-05 -0.92688E-07 544 0.650E-03
1 F= -.90410769E+02 E0= -.90418783E+02 d E =0.240410E-01