./iterations/neb0_image05_iter295_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 0.367735842659E+03 0.36774E+03 -0.14308E+04 624 0.799E+02
DAV: 2 0.473015280905E+01 -0.36301E+03 -0.34925E+03 840 0.196E+02
DAV: 3 -0.952337787511E+02 -0.99964E+02 -0.99621E+02 648 0.117E+02
DAV: 4 -0.100098309311E+03 -0.48645E+01 -0.48526E+01 712 0.300E+01
DAV: 5 -0.100195754615E+03 -0.97445E-01 -0.97404E-01 736 0.380E+00 0.222E+01
DAV: 6 -0.915624467390E+02 0.86333E+01 -0.31099E+01 688 0.301E+01 0.117E+01
DAV: 7 -0.907492464824E+02 0.81320E+00 -0.17729E+00 720 0.652E+00 0.483E+00
DAV: 8 -0.903705847227E+02 0.37866E+00 -0.50877E-01 720 0.437E+00 0.180E+00
DAV: 9 -0.902847811898E+02 0.85804E-01 -0.13952E-01 728 0.209E+00 0.576E-01
DAV: 10 -0.902716251769E+02 0.13156E-01 -0.29260E-02 736 0.954E-01 0.334E-01
DAV: 11 -0.902727816452E+02 -0.11565E-02 -0.16587E-02 696 0.661E-01 0.225E-01
DAV: 12 -0.902754383580E+02 -0.26567E-02 -0.40257E-03 616 0.411E-01 0.113E-01
DAV: 13 -0.902784701710E+02 -0.30318E-02 -0.21849E-03 628 0.276E-01 0.115E-01
DAV: 14 -0.902815672133E+02 -0.30970E-02 -0.16539E-03 828 0.270E-01 0.534E-02
DAV: 15 -0.902847476656E+02 -0.31805E-02 -0.70236E-04 647 0.125E-01 0.418E-02
DAV: 16 -0.902873917342E+02 -0.26441E-02 -0.38123E-04 696 0.109E-01 0.226E-02
DAV: 17 -0.902886790338E+02 -0.12873E-02 -0.19096E-04 680 0.639E-02 0.192E-02
DAV: 18 -0.902893254780E+02 -0.64644E-03 -0.97032E-05 666 0.560E-02 0.880E-03
DAV: 19 -0.902895284745E+02 -0.20300E-03 -0.55622E-05 688 0.368E-02 0.982E-03
DAV: 20 -0.902895755557E+02 -0.47081E-04 -0.76483E-06 488 0.232E-02 0.357E-03
DAV: 21 -0.902896143114E+02 -0.38756E-04 -0.13824E-05 425 0.202E-02 0.370E-03
DAV: 22 -0.902896241737E+02 -0.98623E-05 -0.24773E-06 480 0.845E-03
1 F= -.90289624E+02 E0= -.90298005E+02 d E =0.251430E-01