iterations/neb0_image08_iter163_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 0.373699896282E+03 0.37370E+03 -0.14277E+04 624 0.799E+02
DAV: 2 0.368754297650E+01 -0.37001E+03 -0.35791E+03 863 0.196E+02
DAV: 3 -0.966405231090E+02 -0.10033E+03 -0.10002E+03 669 0.117E+02
DAV: 4 -0.101217573336E+03 -0.45771E+01 -0.45632E+01 720 0.285E+01
DAV: 5 -0.101307819954E+03 -0.90247E-01 -0.90190E-01 720 0.361E+00 0.227E+01
DAV: 6 -0.926397951399E+02 0.86680E+01 -0.31030E+01 728 0.301E+01 0.118E+01
DAV: 7 -0.917830071865E+02 0.85679E+00 -0.17415E+00 712 0.616E+00 0.479E+00
DAV: 8 -0.914093598698E+02 0.37365E+00 -0.53939E-01 720 0.394E+00 0.163E+00
DAV: 9 -0.913280535902E+02 0.81306E-01 -0.13097E-01 720 0.155E+00 0.420E-01
DAV: 10 -0.913198957658E+02 0.81578E-02 -0.43579E-02 760 0.109E+00 0.296E-01
DAV: 11 -0.913245556733E+02 -0.46599E-02 -0.12462E-02 608 0.582E-01 0.140E-01
DAV: 12 -0.913275064144E+02 -0.29507E-02 -0.26961E-03 633 0.247E-01 0.103E-01
DAV: 13 -0.913308679906E+02 -0.33616E-02 -0.13538E-03 642 0.192E-01 0.443E-02
DAV: 14 -0.913341265631E+02 -0.32586E-02 -0.71318E-04 672 0.173E-01 0.340E-02
DAV: 15 -0.913354291805E+02 -0.13026E-02 -0.20227E-04 688 0.899E-02 0.339E-02
DAV: 16 -0.913366999804E+02 -0.12708E-02 -0.27757E-04 645 0.902E-02 0.144E-02
DAV: 17 -0.913372409640E+02 -0.54098E-03 -0.55383E-05 664 0.434E-02 0.137E-02
DAV: 18 -0.913374754359E+02 -0.23447E-03 -0.46873E-05 664 0.368E-02 0.104E-02
DAV: 19 -0.913375677992E+02 -0.92363E-04 -0.13737E-05 464 0.213E-02 0.523E-03
DAV: 20 -0.913375958305E+02 -0.28031E-04 -0.53717E-06 488 0.117E-02 0.306E-03
DAV: 21 -0.913376187386E+02 -0.22908E-04 -0.48464E-06 415 0.136E-02 0.152E-03
DAV: 22 -0.913376244727E+02 -0.57342E-05 -0.15625E-06 480 0.591E-03
1 F= -.91337624E+02 E0= -.91342848E+02 d E =0.156710E-01