iterations/neb0_image04_iter18_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 0.361427387287E+03 0.36143E+03 -0.14258E+04 632 0.799E+02
DAV: 2 0.510001009932E+01 -0.35633E+03 -0.34401E+03 842 0.193E+02
DAV: 3 -0.933789764244E+02 -0.98479E+02 -0.98040E+02 680 0.115E+02
DAV: 4 -0.979951641866E+02 -0.46162E+01 -0.46020E+01 704 0.282E+01
DAV: 5 -0.980951966544E+02 -0.10003E+00 -0.99982E-01 720 0.365E+00 0.215E+01
DAV: 6 -0.897291784427E+02 0.83660E+01 -0.30823E+01 712 0.297E+01 0.111E+01
DAV: 7 -0.889819037103E+02 0.74727E+00 -0.16836E+00 728 0.657E+00 0.474E+00
DAV: 8 -0.886080807628E+02 0.37382E+00 -0.60582E-01 720 0.450E+00 0.171E+00
DAV: 9 -0.885225639985E+02 0.85517E-01 -0.13894E-01 720 0.179E+00 0.515E-01
DAV: 10 -0.885158442828E+02 0.67197E-02 -0.17566E-02 712 0.716E-01 0.318E-01
DAV: 11 -0.885149568183E+02 0.88746E-03 -0.82758E-03 680 0.460E-01 0.194E-01
DAV: 12 -0.885182432350E+02 -0.32864E-02 -0.39380E-03 669 0.402E-01 0.103E-01
DAV: 13 -0.885211273204E+02 -0.28841E-02 -0.10965E-03 714 0.212E-01 0.757E-02
DAV: 14 -0.885250240224E+02 -0.38967E-02 -0.13876E-03 628 0.193E-01 0.513E-02
DAV: 15 -0.885271735729E+02 -0.21496E-02 -0.24215E-04 808 0.124E-01 0.283E-02
DAV: 16 -0.885293104027E+02 -0.21368E-02 -0.41966E-04 674 0.929E-02 0.287E-02
DAV: 17 -0.885299709433E+02 -0.66054E-03 -0.15670E-04 941 0.992E-02 0.178E-02
DAV: 18 -0.885304721612E+02 -0.50122E-03 -0.89622E-05 669 0.565E-02 0.111E-02
DAV: 19 -0.885306570302E+02 -0.18487E-03 -0.24230E-05 557 0.284E-02 0.677E-03
DAV: 20 -0.885308028121E+02 -0.14578E-03 -0.21929E-05 525 0.252E-02 0.425E-03
DAV: 21 -0.885308430213E+02 -0.40209E-04 -0.37916E-06 509 0.134E-02 0.183E-03
DAV: 22 -0.885308776506E+02 -0.34629E-04 -0.57155E-06 423 0.108E-02 0.226E-03
DAV: 23 -0.885308876673E+02 -0.10017E-04 -0.17252E-06 485 0.625E-03 0.128E-03
DAV: 24 -0.885308885983E+02 -0.93100E-06 -0.57799E-07 536 0.391E-03
1 F= -.88530889E+02 E0= -.88541456E+02 d E =0.317033E-01