iterations/neb0_image01_iter63_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 0.208816368039E+04 0.20882E+04 -0.11606E+05 1704 0.105E+03
DAV: 2 -0.141263761379E+03 -0.22294E+04 -0.21420E+04 2144 0.261E+02
DAV: 3 -0.461737130294E+03 -0.32047E+03 -0.31684E+03 1896 0.107E+02
DAV: 4 -0.475286163630E+03 -0.13549E+02 -0.13321E+02 1944 0.227E+01
DAV: 5 -0.475825847132E+03 -0.53968E+00 -0.53932E+00 2120 0.394E+00 0.435E+01
DAV: 6 -0.458811726774E+03 0.17014E+02 -0.24104E+02 2048 0.319E+01 0.411E+01
DAV: 7 -0.449935883499E+03 0.88758E+01 -0.41629E+01 1772 0.139E+01 0.198E+01
DAV: 8 -0.445444324957E+03 0.44916E+01 -0.82937E+00 1816 0.707E+00 0.114E+01
DAV: 9 -0.446647750709E+03 -0.12034E+01 -0.26311E+01 2116 0.800E+00 0.101E+01
DAV: 10 -0.446114020878E+03 0.53373E+00 -0.14914E+00 1824 0.226E+00 0.909E+00
DAV: 11 -0.444917699107E+03 0.11963E+01 -0.17970E+00 1976 0.242E+00 0.578E+00
DAV: 12 -0.444767641008E+03 0.15006E+00 -0.58266E+00 2040 0.261E+00 0.121E+01
DAV: 13 -0.444526639923E+03 0.24100E+00 -0.99931E+00 1976 0.225E+00 0.379E+00
DAV: 14 -0.444519244145E+03 0.73958E-02 -0.11789E-01 1864 0.719E-01 0.344E+00
DAV: 15 -0.444397695249E+03 0.12155E+00 -0.19846E-02 2008 0.491E-01 0.140E+00
DAV: 16 -0.444403050359E+03 -0.53551E-02 -0.12247E-02 1880 0.347E-01 0.790E-01
DAV: 17 -0.444415952000E+03 -0.12902E-01 -0.97903E-02 2104 0.348E-01 0.674E-01
DAV: 18 -0.444420400666E+03 -0.44487E-02 -0.41181E-03 1904 0.169E-01 0.299E-01
DAV: 19 -0.444420733620E+03 -0.33295E-03 -0.14622E-03 1880 0.834E-02 0.158E-01
DAV: 20 -0.444421881244E+03 -0.11476E-02 -0.50014E-04 1968 0.599E-02 0.663E-02
DAV: 21 -0.444422805686E+03 -0.92444E-03 -0.22570E-04 1840 0.373E-02 0.612E-02
DAV: 22 -0.444423872389E+03 -0.10667E-02 -0.19270E-04 1896 0.391E-02 0.156E-01
DAV: 23 -0.444423817914E+03 0.54475E-04 -0.17799E-04 1984 0.410E-02 0.276E-02
DAV: 24 -0.444424184937E+03 -0.36702E-03 -0.45958E-05 1632 0.161E-02 0.249E-02
DAV: 25 -0.444424667166E+03 -0.48223E-03 -0.10742E-04 1840 0.248E-02 0.407E-02
DAV: 26 -0.444424813538E+03 -0.14637E-03 -0.26703E-05 1480 0.169E-02 0.139E-02
DAV: 27 -0.444424910114E+03 -0.96575E-04 -0.30774E-05 1664 0.112E-02 0.898E-03
DAV: 28 -0.444424924708E+03 -0.14594E-04 -0.41493E-06 960 0.596E-03 0.629E-03
DAV: 29 -0.444424950490E+03 -0.25783E-04 -0.86391E-06 1112 0.781E-03 0.209E-02
DAV: 30 -0.444424959369E+03 -0.88788E-05 -0.21889E-06 1000 0.397E-03
1 F= -.44442496E+03 E0= -.44441811E+03 d E =-.205613E-01