iterations/neb0_image09_iter92_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 0.374423483536E+03 0.37442E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.247582574704E+01 -0.37195E+03 -0.35960E+03 877 0.196E+02
DAV: 3 -0.967423522729E+02 -0.99218E+02 -0.98880E+02 664 0.117E+02
DAV: 4 -0.101226028286E+03 -0.44837E+01 -0.44743E+01 696 0.285E+01
DAV: 5 -0.101315048796E+03 -0.89021E-01 -0.88981E-01 736 0.362E+00 0.227E+01
DAV: 6 -0.926688414081E+02 0.86462E+01 -0.30851E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.918014492267E+02 0.86739E+00 -0.17091E+00 728 0.615E+00 0.479E+00
DAV: 8 -0.914241209910E+02 0.37733E+00 -0.54639E-01 712 0.397E+00 0.162E+00
DAV: 9 -0.913421189286E+02 0.82002E-01 -0.13045E-01 704 0.155E+00 0.424E-01
DAV: 10 -0.913332444561E+02 0.88745E-02 -0.45839E-02 768 0.112E+00 0.303E-01
DAV: 11 -0.913376954264E+02 -0.44510E-02 -0.12795E-02 616 0.590E-01 0.141E-01
DAV: 12 -0.913407057461E+02 -0.30103E-02 -0.29978E-03 620 0.245E-01 0.116E-01
DAV: 13 -0.913445115996E+02 -0.38059E-02 -0.16408E-03 728 0.224E-01 0.437E-02
DAV: 14 -0.913477565334E+02 -0.32449E-02 -0.54762E-04 661 0.127E-01 0.341E-02
DAV: 15 -0.913493815067E+02 -0.16250E-02 -0.15553E-04 680 0.723E-02 0.347E-02
DAV: 16 -0.913506906326E+02 -0.13091E-02 -0.35403E-04 650 0.952E-02 0.201E-02
DAV: 17 -0.913509490580E+02 -0.25843E-03 -0.53785E-05 688 0.545E-02 0.119E-02
DAV: 18 -0.913511987751E+02 -0.24972E-03 -0.45794E-05 556 0.314E-02 0.111E-02
DAV: 19 -0.913512743524E+02 -0.75577E-04 -0.81585E-06 480 0.185E-02 0.561E-03
DAV: 20 -0.913513098153E+02 -0.35463E-04 -0.15771E-05 448 0.251E-02 0.365E-03
DAV: 21 -0.913513293466E+02 -0.19531E-04 -0.33861E-06 445 0.107E-02 0.291E-03
DAV: 22 -0.913513343683E+02 -0.50216E-05 -0.15378E-06 456 0.693E-03
1 F= -.91351334E+02 E0= -.91356132E+02 d E =0.143921E-01