iterations/neb0_image03_iter73_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 0.209843026542E+04 0.20984E+04 -0.11599E+05 1696 0.105E+03
DAV: 2 -0.138699151965E+03 -0.22371E+04 -0.21463E+04 2160 0.262E+02
DAV: 3 -0.463318441073E+03 -0.32462E+03 -0.31931E+03 1920 0.108E+02
DAV: 4 -0.476512136688E+03 -0.13194E+02 -0.13147E+02 1952 0.229E+01
DAV: 5 -0.476970403494E+03 -0.45827E+00 -0.45805E+00 2112 0.379E+00 0.433E+01
DAV: 6 -0.454232145085E+03 0.22738E+02 -0.14888E+02 2040 0.319E+01 0.417E+01
DAV: 7 -0.453336073695E+03 0.89607E+00 -0.38292E+01 1808 0.145E+01 0.218E+01
DAV: 8 -0.446670841807E+03 0.66652E+01 -0.97780E+00 1856 0.860E+00 0.136E+01
DAV: 9 -0.447345277188E+03 -0.67444E+00 -0.30232E+01 2032 0.111E+01 0.120E+01
DAV: 10 -0.446517986618E+03 0.82729E+00 -0.33043E+00 1816 0.341E+00 0.109E+01
DAV: 11 -0.445626822410E+03 0.89116E+00 -0.57791E-01 1960 0.204E+00 0.889E+00
DAV: 12 -0.444266426059E+03 0.13604E+01 -0.20636E+00 2000 0.403E+00 0.592E+00
DAV: 13 -0.444388880863E+03 -0.12245E+00 -0.31705E+00 1912 0.253E+00 0.470E+00
DAV: 14 -0.444234064582E+03 0.15482E+00 -0.14464E-01 1824 0.783E-01 0.266E+00
DAV: 15 -0.444205794466E+03 0.28270E-01 -0.96074E-02 1920 0.468E-01 0.137E+00
DAV: 16 -0.444250036451E+03 -0.44242E-01 -0.32208E-02 1944 0.578E-01 0.304E+00
DAV: 17 -0.444222519816E+03 0.27517E-01 -0.21014E-02 1936 0.437E-01 0.627E-01
DAV: 18 -0.444235723885E+03 -0.13204E-01 -0.56350E-03 1936 0.193E-01 0.219E-01
DAV: 19 -0.444237604711E+03 -0.18808E-02 -0.29025E-03 1928 0.139E-01 0.269E-01
DAV: 20 -0.444238338592E+03 -0.73388E-03 -0.88800E-04 1832 0.831E-02 0.140E-01
DAV: 21 -0.444240055521E+03 -0.17169E-02 -0.64406E-04 1888 0.688E-02 0.395E-01
DAV: 22 -0.444239907377E+03 0.14814E-03 -0.61600E-04 1896 0.778E-02 0.708E-02
DAV: 23 -0.444241601310E+03 -0.16939E-02 -0.35609E-04 1840 0.413E-02 0.514E-02
DAV: 24 -0.444241965791E+03 -0.36448E-03 -0.38633E-05 1488 0.156E-02 0.138E-01
DAV: 25 -0.444242555542E+03 -0.58975E-03 -0.18153E-04 1784 0.347E-02 0.923E-02
DAV: 26 -0.444242648715E+03 -0.93173E-04 -0.41782E-05 1664 0.167E-02 0.553E-02
DAV: 27 -0.444242756784E+03 -0.10807E-03 -0.17862E-05 1232 0.126E-02 0.651E-02
DAV: 28 -0.444242793335E+03 -0.36551E-04 -0.16846E-05 1224 0.110E-02 0.511E-02
DAV: 29 -0.444242828574E+03 -0.35240E-04 -0.46331E-06 936 0.518E-03 0.415E-02
DAV: 30 -0.444242893509E+03 -0.64934E-04 -0.10054E-05 1304 0.104E-02 0.841E-03
DAV: 31 -0.444242929561E+03 -0.36052E-04 -0.50018E-06 1040 0.493E-03 0.888E-03
DAV: 32 -0.444242938784E+03 -0.92230E-05 -0.84082E-07 936 0.242E-03
1 F= -.44424294E+03 E0= -.44423342E+03 d E =-.285700E-01