./iterations/neb0_image02_iter280_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 0.365218777523E+03 0.36522E+03 -0.14293E+04 624 0.799E+02
DAV: 2 0.234929107889E+01 -0.36287E+03 -0.35060E+03 853 0.195E+02
DAV: 3 -0.954660243066E+02 -0.97815E+02 -0.97473E+02 640 0.116E+02
DAV: 4 -0.100206187563E+03 -0.47402E+01 -0.47290E+01 712 0.297E+01
DAV: 5 -0.100300489391E+03 -0.94302E-01 -0.94267E-01 720 0.376E+00 0.222E+01
DAV: 6 -0.916643018743E+02 0.86362E+01 -0.30903E+01 677 0.299E+01 0.117E+01
DAV: 7 -0.908490561442E+02 0.81525E+00 -0.17977E+00 712 0.634E+00 0.484E+00
DAV: 8 -0.904707518600E+02 0.37830E+00 -0.55308E-01 704 0.430E+00 0.169E+00
DAV: 9 -0.903874740802E+02 0.83278E-01 -0.13299E-01 720 0.167E+00 0.426E-01
DAV: 10 -0.903834692337E+02 0.40048E-02 -0.48536E-02 712 0.125E+00 0.328E-01
DAV: 11 -0.903873217993E+02 -0.38526E-02 -0.80290E-03 621 0.602E-01 0.115E-01
DAV: 12 -0.903904846380E+02 -0.31628E-02 -0.67850E-03 632 0.426E-01 0.139E-01
DAV: 13 -0.903928417732E+02 -0.23571E-02 -0.20131E-03 872 0.343E-01 0.802E-02
DAV: 14 -0.903959684346E+02 -0.31267E-02 -0.14391E-03 623 0.191E-01 0.749E-02
DAV: 15 -0.903975680226E+02 -0.15996E-02 -0.28420E-04 688 0.990E-02 0.609E-02
DAV: 16 -0.903988526422E+02 -0.12846E-02 -0.10327E-03 664 0.198E-01 0.324E-02
DAV: 17 -0.903995710499E+02 -0.71841E-03 -0.12525E-04 680 0.688E-02 0.334E-02
DAV: 18 -0.903998852186E+02 -0.31417E-03 -0.59528E-05 680 0.394E-02 0.200E-02
DAV: 19 -0.904000962998E+02 -0.21108E-03 -0.10694E-04 644 0.581E-02 0.990E-03
DAV: 20 -0.904001205986E+02 -0.24299E-04 -0.92081E-06 512 0.205E-02 0.796E-03
DAV: 21 -0.904001617011E+02 -0.41103E-04 -0.97515E-06 404 0.168E-02 0.442E-03
DAV: 22 -0.904001726701E+02 -0.10969E-04 -0.50322E-06 480 0.143E-02 0.229E-03
DAV: 23 -0.904001751109E+02 -0.24407E-05 -0.25167E-06 512 0.973E-03
1 F= -.90400175E+02 E0= -.90406467E+02 d E =0.188766E-01