iterations/neb0_image08_iter189_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 0.374378242165E+03 0.37438E+03 -0.14284E+04 624 0.799E+02
DAV: 2 0.359257713414E+01 -0.37079E+03 -0.35852E+03 863 0.196E+02
DAV: 3 -0.966779140537E+02 -0.10027E+03 -0.99967E+02 669 0.117E+02
DAV: 4 -0.101272056275E+03 -0.45941E+01 -0.45819E+01 728 0.287E+01
DAV: 5 -0.101362225920E+03 -0.90170E-01 -0.90114E-01 712 0.363E+00 0.228E+01
DAV: 6 -0.926631638035E+02 0.86991E+01 -0.30931E+01 712 0.301E+01 0.119E+01
DAV: 7 -0.917901970754E+02 0.87297E+00 -0.17326E+00 720 0.614E+00 0.480E+00
DAV: 8 -0.914148403666E+02 0.37536E+00 -0.54392E-01 712 0.396E+00 0.162E+00
DAV: 9 -0.913347934240E+02 0.80047E-01 -0.13127E-01 728 0.155E+00 0.420E-01
DAV: 10 -0.913267716950E+02 0.80217E-02 -0.44282E-02 744 0.109E+00 0.301E-01
DAV: 11 -0.913315151839E+02 -0.47435E-02 -0.13066E-02 605 0.594E-01 0.143E-01
DAV: 12 -0.913345189706E+02 -0.30038E-02 -0.27638E-03 630 0.243E-01 0.104E-01
DAV: 13 -0.913379542029E+02 -0.34352E-02 -0.16356E-03 639 0.210E-01 0.447E-02
DAV: 14 -0.913415335151E+02 -0.35793E-02 -0.92831E-04 655 0.199E-01 0.389E-02
DAV: 15 -0.913423846853E+02 -0.85117E-03 -0.20791E-04 704 0.939E-02 0.316E-02
DAV: 16 -0.913433032984E+02 -0.91861E-03 -0.21239E-04 701 0.875E-02 0.125E-02
DAV: 17 -0.913440993622E+02 -0.79606E-03 -0.75916E-05 656 0.404E-02 0.128E-02
DAV: 18 -0.913443729764E+02 -0.27361E-03 -0.32286E-05 624 0.247E-02 0.915E-03
DAV: 19 -0.913444863736E+02 -0.11340E-03 -0.26702E-05 568 0.288E-02 0.508E-03
DAV: 20 -0.913445067574E+02 -0.20384E-04 -0.34766E-06 512 0.131E-02 0.324E-03
DAV: 21 -0.913445213906E+02 -0.14633E-04 -0.34901E-06 407 0.970E-03 0.126E-03
DAV: 22 -0.913445274406E+02 -0.60500E-05 -0.92083E-07 456 0.427E-03
1 F= -.91344527E+02 E0= -.91349634E+02 d E =0.153206E-01