iterations/neb0_image05_iter144_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 0.365803093332E+03 0.36580E+03 -0.14334E+04 640 0.799E+02
DAV: 2 0.241391408687E+01 -0.36339E+03 -0.35011E+03 863 0.192E+02
DAV: 3 -0.946380693845E+02 -0.97052E+02 -0.96689E+02 637 0.115E+02
DAV: 4 -0.993439838584E+02 -0.47059E+01 -0.46930E+01 736 0.295E+01
DAV: 5 -0.994427948778E+02 -0.98811E-01 -0.98775E-01 736 0.377E+00 0.220E+01
DAV: 6 -0.909421054480E+02 0.85007E+01 -0.30253E+01 669 0.298E+01 0.115E+01
DAV: 7 -0.901563056635E+02 0.78580E+00 -0.18447E+00 728 0.658E+00 0.478E+00
DAV: 8 -0.897844124473E+02 0.37189E+00 -0.51562E-01 712 0.448E+00 0.181E+00
DAV: 9 -0.896913131686E+02 0.93099E-01 -0.14197E-01 733 0.214E+00 0.568E-01
DAV: 10 -0.896774705994E+02 0.13843E-01 -0.39144E-02 736 0.103E+00 0.350E-01
DAV: 11 -0.896779132921E+02 -0.44269E-03 -0.12607E-02 736 0.606E-01 0.236E-01
DAV: 12 -0.896799503090E+02 -0.20370E-02 -0.38492E-03 674 0.489E-01 0.122E-01
DAV: 13 -0.896828869058E+02 -0.29366E-02 -0.18972E-03 620 0.283E-01 0.101E-01
DAV: 14 -0.896876074915E+02 -0.47206E-02 -0.24678E-03 625 0.305E-01 0.631E-02
DAV: 15 -0.896889596759E+02 -0.13522E-02 -0.33788E-04 712 0.118E-01 0.484E-02
DAV: 16 -0.896914892555E+02 -0.25296E-02 -0.99613E-04 717 0.220E-01 0.412E-02
DAV: 17 -0.896922595244E+02 -0.77027E-03 -0.17232E-04 712 0.878E-02 0.337E-02
DAV: 18 -0.896930518115E+02 -0.79229E-03 -0.16108E-04 724 0.690E-02 0.108E-02
DAV: 19 -0.896935217081E+02 -0.46990E-03 -0.56745E-05 666 0.389E-02 0.768E-03
DAV: 20 -0.896937067050E+02 -0.18500E-03 -0.16130E-05 485 0.204E-02 0.891E-03
DAV: 21 -0.896937888116E+02 -0.82107E-04 -0.86930E-06 439 0.173E-02 0.504E-03
DAV: 22 -0.896938156199E+02 -0.26808E-04 -0.13999E-05 480 0.224E-02 0.409E-03
DAV: 23 -0.896938224379E+02 -0.68180E-05 -0.27350E-06 466 0.918E-03
1 F= -.89693822E+02 E0= -.89702650E+02 d E =0.264837E-01