iterations/neb0_image08_iter164_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 0.373680536631E+03 0.37368E+03 -0.14277E+04 624 0.799E+02
DAV: 2 0.369442057634E+01 -0.36999E+03 -0.35788E+03 863 0.196E+02
DAV: 3 -0.966407597349E+02 -0.10034E+03 -0.10003E+03 669 0.117E+02
DAV: 4 -0.101218027099E+03 -0.45773E+01 -0.45635E+01 712 0.285E+01
DAV: 5 -0.101308572438E+03 -0.90545E-01 -0.90488E-01 720 0.362E+00 0.227E+01
DAV: 6 -0.926407404455E+02 0.86678E+01 -0.31030E+01 728 0.301E+01 0.118E+01
DAV: 7 -0.917836556869E+02 0.85708E+00 -0.17408E+00 712 0.616E+00 0.479E+00
DAV: 8 -0.914099583020E+02 0.37370E+00 -0.53967E-01 720 0.394E+00 0.163E+00
DAV: 9 -0.913286438068E+02 0.81314E-01 -0.13072E-01 720 0.155E+00 0.421E-01
DAV: 10 -0.913204576725E+02 0.81861E-02 -0.43316E-02 760 0.108E+00 0.296E-01
DAV: 11 -0.913251204596E+02 -0.46628E-02 -0.12360E-02 608 0.580E-01 0.140E-01
DAV: 12 -0.913280791968E+02 -0.29587E-02 -0.26729E-03 633 0.249E-01 0.101E-01
DAV: 13 -0.913314526007E+02 -0.33734E-02 -0.13774E-03 634 0.191E-01 0.456E-02
DAV: 14 -0.913349701760E+02 -0.35176E-02 -0.87386E-04 669 0.199E-01 0.390E-02
DAV: 15 -0.913359844020E+02 -0.10142E-02 -0.22588E-04 688 0.992E-02 0.345E-02
DAV: 16 -0.913370855808E+02 -0.11012E-02 -0.24784E-04 661 0.905E-02 0.140E-02
DAV: 17 -0.913377790765E+02 -0.69350E-03 -0.75761E-05 664 0.458E-02 0.137E-02
DAV: 18 -0.913380340009E+02 -0.25492E-03 -0.36923E-05 608 0.312E-02 0.102E-02
DAV: 19 -0.913381469953E+02 -0.11299E-03 -0.24938E-05 512 0.272E-02 0.601E-03
DAV: 20 -0.913381736752E+02 -0.26680E-04 -0.42474E-06 496 0.137E-02 0.374E-03
DAV: 21 -0.913381888368E+02 -0.15162E-04 -0.56602E-06 437 0.148E-02 0.178E-03
DAV: 22 -0.913381998993E+02 -0.11063E-04 -0.15448E-06 426 0.602E-03 0.177E-03
DAV: 23 -0.913382028495E+02 -0.29501E-05 -0.51198E-07 440 0.356E-03
1 F= -.91338203E+02 E0= -.91343536E+02 d E =0.159986E-01