iterations/neb0_image02_iter143_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 0.363758223141E+03 0.36376E+03 -0.14326E+04 632 0.799E+02
DAV: 2 0.284156524060E+01 -0.36092E+03 -0.34748E+03 845 0.194E+02
DAV: 3 -0.955315815260E+02 -0.98373E+02 -0.98039E+02 656 0.116E+02
DAV: 4 -0.100184782054E+03 -0.46532E+01 -0.46418E+01 720 0.291E+01
DAV: 5 -0.100275665256E+03 -0.90883E-01 -0.90848E-01 720 0.366E+00 0.222E+01
DAV: 6 -0.916696643022E+02 0.86060E+01 -0.30955E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908592238538E+02 0.81044E+00 -0.18406E+00 704 0.637E+00 0.484E+00
DAV: 8 -0.904781070509E+02 0.38112E+00 -0.55786E-01 704 0.429E+00 0.169E+00
DAV: 9 -0.903910569263E+02 0.87050E-01 -0.13787E-01 704 0.166E+00 0.433E-01
DAV: 10 -0.903852736581E+02 0.57833E-02 -0.49966E-02 712 0.133E+00 0.330E-01
DAV: 11 -0.903885914569E+02 -0.33178E-02 -0.72361E-03 608 0.512E-01 0.156E-01
DAV: 12 -0.903919369659E+02 -0.33455E-02 -0.83594E-03 640 0.513E-01 0.137E-01
DAV: 13 -0.903946708475E+02 -0.27339E-02 -0.18249E-03 936 0.351E-01 0.838E-02
DAV: 14 -0.903976400512E+02 -0.29692E-02 -0.13526E-03 645 0.175E-01 0.623E-02
DAV: 15 -0.903998639980E+02 -0.22239E-02 -0.43020E-04 664 0.111E-01 0.487E-02
DAV: 16 -0.904013061685E+02 -0.14422E-02 -0.72610E-04 664 0.159E-01 0.311E-02
DAV: 17 -0.904021771431E+02 -0.87097E-03 -0.13871E-04 666 0.765E-02 0.242E-02
DAV: 18 -0.904023994163E+02 -0.22227E-03 -0.64562E-05 688 0.401E-02 0.105E-02
DAV: 19 -0.904026033789E+02 -0.20396E-03 -0.49873E-05 626 0.368E-02 0.770E-03
DAV: 20 -0.904026213766E+02 -0.17998E-04 -0.48830E-06 488 0.192E-02 0.576E-03
DAV: 21 -0.904026499087E+02 -0.28532E-04 -0.94678E-06 440 0.178E-02 0.686E-03
DAV: 22 -0.904026727720E+02 -0.22863E-04 -0.43218E-06 461 0.150E-02 0.329E-03
DAV: 23 -0.904026796440E+02 -0.68720E-05 -0.66309E-06 464 0.141E-02
1 F= -.90402680E+02 E0= -.90408850E+02 d E =0.185106E-01