iterations/neb0_image04_iter154_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 0.364121662088E+03 0.36412E+03 -0.14353E+04 640 0.799E+02
DAV: 2 0.109210035056E+01 -0.36303E+03 -0.35019E+03 874 0.193E+02
DAV: 3 -0.957765004585E+02 -0.96869E+02 -0.96542E+02 658 0.115E+02
DAV: 4 -0.100119101646E+03 -0.43426E+01 -0.43322E+01 712 0.281E+01
DAV: 5 -0.100201617986E+03 -0.82516E-01 -0.82484E-01 736 0.353E+00 0.223E+01
DAV: 6 -0.915451572902E+02 0.86565E+01 -0.30774E+01 688 0.298E+01 0.116E+01
DAV: 7 -0.906977458470E+02 0.84741E+00 -0.18003E+00 712 0.629E+00 0.482E+00
DAV: 8 -0.902969360137E+02 0.40081E+00 -0.54751E-01 704 0.418E+00 0.165E+00
DAV: 9 -0.902001134680E+02 0.96823E-01 -0.13364E-01 728 0.169E+00 0.433E-01
DAV: 10 -0.901913374720E+02 0.87760E-02 -0.45456E-02 712 0.109E+00 0.336E-01
DAV: 11 -0.901969384894E+02 -0.56010E-02 -0.13567E-02 672 0.785E-01 0.176E-01
DAV: 12 -0.901981653792E+02 -0.12269E-02 -0.37096E-03 656 0.331E-01 0.149E-01
DAV: 13 -0.902018317810E+02 -0.36664E-02 -0.48738E-03 621 0.435E-01 0.901E-02
DAV: 14 -0.902054117206E+02 -0.35799E-02 -0.10092E-03 655 0.174E-01 0.664E-02
DAV: 15 -0.902079323619E+02 -0.25206E-02 -0.76336E-04 672 0.156E-01 0.236E-02
DAV: 16 -0.902097389213E+02 -0.18066E-02 -0.20846E-04 663 0.732E-02 0.188E-02
DAV: 17 -0.902105972911E+02 -0.85837E-03 -0.88909E-05 642 0.412E-02 0.140E-02
DAV: 18 -0.902109701573E+02 -0.37287E-03 -0.71639E-05 658 0.449E-02 0.728E-03
DAV: 19 -0.902110715914E+02 -0.10143E-03 -0.74245E-06 482 0.162E-02 0.482E-03
DAV: 20 -0.902111469474E+02 -0.75356E-04 -0.11022E-05 418 0.171E-02 0.186E-03
DAV: 21 -0.902111853337E+02 -0.38386E-04 -0.43800E-06 453 0.825E-03 0.161E-03
DAV: 22 -0.902111943934E+02 -0.90597E-05 -0.15455E-06 512 0.704E-03
1 F= -.90211194E+02 E0= -.90220598E+02 d E =0.282112E-01