iterations/neb0_image08_iter116_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 0.375920486865E+03 0.37592E+03 -0.14284E+04 624 0.799E+02
DAV: 2 0.339361886618E+01 -0.37253E+03 -0.35962E+03 869 0.196E+02
DAV: 3 -0.968133304793E+02 -0.10021E+03 -0.99870E+02 674 0.117E+02
DAV: 4 -0.101216011163E+03 -0.44027E+01 -0.43919E+01 712 0.278E+01
DAV: 5 -0.101302402037E+03 -0.86391E-01 -0.86358E-01 736 0.351E+00 0.228E+01
DAV: 6 -0.926276308531E+02 0.86748E+01 -0.30833E+01 714 0.302E+01 0.119E+01
DAV: 7 -0.917512639449E+02 0.87637E+00 -0.17198E+00 720 0.615E+00 0.480E+00
DAV: 8 -0.913724260037E+02 0.37884E+00 -0.54975E-01 704 0.400E+00 0.163E+00
DAV: 9 -0.912892629869E+02 0.83163E-01 -0.13262E-01 720 0.157E+00 0.425E-01
DAV: 10 -0.912804214466E+02 0.88415E-02 -0.47383E-02 752 0.114E+00 0.309E-01
DAV: 11 -0.912851263761E+02 -0.47049E-02 -0.14491E-02 616 0.629E-01 0.155E-01
DAV: 12 -0.912879062742E+02 -0.27799E-02 -0.29780E-03 600 0.249E-01 0.119E-01
DAV: 13 -0.912916305495E+02 -0.37243E-02 -0.18603E-03 679 0.235E-01 0.467E-02
DAV: 14 -0.912950546691E+02 -0.34241E-02 -0.67580E-04 648 0.157E-01 0.336E-02
DAV: 15 -0.912965043021E+02 -0.14496E-02 -0.20282E-04 680 0.842E-02 0.393E-02
DAV: 16 -0.912976928062E+02 -0.11885E-02 -0.36169E-04 642 0.105E-01 0.184E-02
DAV: 17 -0.912981040463E+02 -0.41124E-03 -0.57186E-05 672 0.515E-02 0.158E-02
DAV: 18 -0.912983159367E+02 -0.21189E-03 -0.38637E-05 632 0.317E-02 0.120E-02
DAV: 19 -0.912984622876E+02 -0.14635E-03 -0.16242E-05 445 0.203E-02 0.496E-03
DAV: 20 -0.912984960168E+02 -0.33729E-04 -0.85344E-06 488 0.149E-02 0.227E-03
DAV: 21 -0.912985185169E+02 -0.22500E-04 -0.36351E-06 409 0.106E-02 0.159E-03
DAV: 22 -0.912985266761E+02 -0.81592E-05 -0.15626E-06 461 0.505E-03
1 F= -.91298527E+02 E0= -.91303436E+02 d E =0.147283E-01