iterations/neb0_image04_iter11_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 0.359151299110E+03 0.35915E+03 -0.14254E+04 632 0.799E+02
DAV: 2 0.618027227615E+01 -0.35297E+03 -0.34017E+03 834 0.193E+02
DAV: 3 -0.924764487721E+02 -0.98657E+02 -0.98188E+02 669 0.115E+02
DAV: 4 -0.973334690245E+02 -0.48570E+01 -0.48413E+01 712 0.290E+01
DAV: 5 -0.974373247903E+02 -0.10386E+00 -0.10380E+00 728 0.374E+00 0.213E+01
DAV: 6 -0.890331152901E+02 0.84042E+01 -0.31311E+01 701 0.299E+01 0.110E+01
DAV: 7 -0.883169066269E+02 0.71621E+00 -0.16267E+00 736 0.656E+00 0.473E+00
DAV: 8 -0.879581795598E+02 0.35873E+00 -0.62652E-01 712 0.440E+00 0.168E+00
DAV: 9 -0.878773594859E+02 0.80820E-01 -0.13285E-01 720 0.172E+00 0.442E-01
DAV: 10 -0.878707844533E+02 0.65750E-02 -0.27635E-02 725 0.761E-01 0.289E-01
DAV: 11 -0.878754559834E+02 -0.46715E-02 -0.16443E-02 608 0.799E-01 0.201E-01
DAV: 12 -0.878758702504E+02 -0.41427E-03 -0.30305E-03 728 0.366E-01 0.141E-01
DAV: 13 -0.878800545696E+02 -0.41843E-02 -0.75496E-03 673 0.591E-01 0.122E-01
DAV: 14 -0.878820021480E+02 -0.19476E-02 -0.14215E-03 741 0.245E-01 0.797E-02
DAV: 15 -0.878837258539E+02 -0.17237E-02 -0.13456E-03 680 0.212E-01 0.311E-02
DAV: 16 -0.878856100040E+02 -0.18842E-02 -0.22998E-04 671 0.889E-02 0.196E-02
DAV: 17 -0.878864145575E+02 -0.80455E-03 -0.82250E-05 701 0.458E-02 0.966E-03
DAV: 18 -0.878870468085E+02 -0.63225E-03 -0.73549E-05 602 0.379E-02 0.787E-03
DAV: 19 -0.878872039024E+02 -0.15709E-03 -0.12405E-05 493 0.300E-02 0.297E-03
DAV: 20 -0.878873087278E+02 -0.10483E-03 -0.23390E-05 502 0.195E-02 0.661E-03
DAV: 21 -0.878873139429E+02 -0.52151E-05 -0.23230E-06 536 0.141E-02
1 F= -.87887314E+02 E0= -.87891180E+02 d E =0.115992E-01