iterations/neb0_image04_iter70_OSZICAR.out output for 39: 512-->524:: F2 + Si-NH-Si on surface slat V5 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.209112431097E+04 0.20911E+04 -0.11610E+05 1704 0.105E+03
DAV: 2 -0.140488537432E+03 -0.22316E+04 -0.21426E+04 2152 0.262E+02
DAV: 3 -0.464649022969E+03 -0.32416E+03 -0.31995E+03 1856 0.107E+02
DAV: 4 -0.477343208639E+03 -0.12694E+02 -0.12645E+02 1992 0.226E+01
DAV: 5 -0.477786144194E+03 -0.44294E+00 -0.44270E+00 2152 0.370E+00 0.430E+01
DAV: 6 -0.449052447361E+03 0.28734E+02 -0.14899E+02 2032 0.319E+01 0.373E+01
DAV: 7 -0.453009854464E+03 -0.39574E+01 -0.22614E+02 1912 0.155E+01 0.204E+01
DAV: 8 -0.446916477830E+03 0.60934E+01 -0.92700E+00 1792 0.919E+00 0.124E+01
DAV: 9 -0.445834942446E+03 0.10815E+01 -0.19917E+01 1952 0.122E+01 0.112E+01
DAV: 10 -0.445048600073E+03 0.78634E+00 -0.30631E+00 1896 0.369E+00 0.852E+00
DAV: 11 -0.445298253494E+03 -0.24965E+00 -0.11777E+01 2096 0.477E+00 0.848E+00
DAV: 12 -0.444657679343E+03 0.64057E+00 -0.12803E+00 2120 0.350E+00 0.434E+00
DAV: 13 -0.444481656419E+03 0.17602E+00 -0.55430E-01 1960 0.128E+00 0.153E+00
DAV: 14 -0.444467048997E+03 0.14607E-01 -0.13070E-01 1952 0.742E-01 0.582E-01
DAV: 15 -0.444479168209E+03 -0.12119E-01 -0.42702E-02 2120 0.450E-01 0.110E+00
DAV: 16 -0.444469504512E+03 0.96637E-02 -0.15613E-02 2000 0.258E-01 0.452E-01
DAV: 17 -0.444476521556E+03 -0.70170E-02 -0.20368E-02 2184 0.227E-01 0.160E+00
DAV: 18 -0.444463488711E+03 0.13033E-01 -0.13944E-02 1976 0.171E-01 0.318E-01
DAV: 19 -0.444471866614E+03 -0.83779E-02 -0.48493E-03 1856 0.128E-01 0.119E-01
DAV: 20 -0.444474749680E+03 -0.28831E-02 -0.64087E-04 1936 0.583E-02 0.173E-01
DAV: 21 -0.444476923502E+03 -0.21738E-02 -0.70136E-04 1848 0.456E-02 0.482E-02
DAV: 22 -0.444480605449E+03 -0.36819E-02 -0.13022E-03 1792 0.552E-02 0.114E-01
DAV: 23 -0.444481294898E+03 -0.68945E-03 -0.45168E-04 1976 0.391E-02 0.696E-02
DAV: 24 -0.444481644566E+03 -0.34967E-03 -0.13333E-04 1760 0.218E-02 0.259E-02
DAV: 25 -0.444481933244E+03 -0.28868E-03 -0.56378E-05 1432 0.161E-02 0.159E-02
DAV: 26 -0.444482139422E+03 -0.20618E-03 -0.29326E-05 1384 0.856E-03 0.609E-03
DAV: 27 -0.444482188114E+03 -0.48692E-04 -0.38376E-06 1096 0.497E-03 0.747E-03
DAV: 28 -0.444482226344E+03 -0.38230E-04 -0.56748E-06 1064 0.629E-03 0.786E-03
DAV: 29 -0.444482240677E+03 -0.14333E-04 -0.27495E-06 968 0.358E-03 0.412E-03
DAV: 30 -0.444482253464E+03 -0.12787E-04 -0.20552E-06 1032 0.406E-03 0.343E-03
DAV: 31 -0.444482257829E+03 -0.43645E-05 -0.65496E-07 936 0.184E-03
1 F= -.44448226E+03 E0= -.44447928E+03 d E =-.894629E-02