iterations/neb0_image05_iter10_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 0.209231285112E+04 0.20923E+04 -0.11608E+05 1704 0.105E+03
DAV: 2 -0.136509176801E+03 -0.22288E+04 -0.21331E+04 2128 0.262E+02
DAV: 3 -0.463066071086E+03 -0.32656E+03 -0.32169E+03 1888 0.108E+02
DAV: 4 -0.476151203332E+03 -0.13085E+02 -0.13036E+02 1976 0.228E+01
DAV: 5 -0.476614736922E+03 -0.46353E+00 -0.46331E+00 2120 0.377E+00 0.429E+01
DAV: 6 -0.448798247529E+03 0.27816E+02 -0.15031E+02 2056 0.324E+01 0.344E+01
DAV: 7 -0.450446685474E+03 -0.16484E+01 -0.16402E+02 2016 0.163E+01 0.193E+01
DAV: 8 -0.445465756354E+03 0.49809E+01 -0.99682E+00 1960 0.109E+01 0.119E+01
DAV: 9 -0.445007159394E+03 0.45860E+00 -0.25812E+01 2008 0.858E+00 0.861E+00
DAV: 10 -0.445742223997E+03 -0.73506E+00 -0.14094E+01 2056 0.601E+00 0.107E+01
DAV: 11 -0.445322204743E+03 0.42002E+00 -0.10170E+00 1840 0.181E+00 0.996E+00
DAV: 12 -0.444584455063E+03 0.73775E+00 -0.50036E-01 2224 0.163E+00 0.704E+00
DAV: 13 -0.445175696186E+03 -0.59124E+00 -0.13576E+01 2064 0.463E+00 0.110E+01
DAV: 14 -0.444405044868E+03 0.77065E+00 -0.83878E-01 1904 0.197E+00 0.660E+00
DAV: 15 -0.444210565537E+03 0.19448E+00 -0.13498E+00 2008 0.158E+00 0.246E+00
DAV: 16 -0.444194891230E+03 0.15674E-01 -0.16377E-01 1896 0.994E-01 0.126E+00
DAV: 17 -0.444188253013E+03 0.66382E-02 -0.46192E-02 1960 0.458E-01 0.733E-01
DAV: 18 -0.444184439997E+03 0.38130E-02 -0.13060E-02 2232 0.206E-01 0.461E-01
DAV: 19 -0.444187022176E+03 -0.25822E-02 -0.14663E-02 2040 0.263E-01 0.377E-01
DAV: 20 -0.444189082451E+03 -0.20603E-02 -0.51896E-03 1944 0.163E-01 0.218E-01
DAV: 21 -0.444189464176E+03 -0.38173E-03 -0.10017E-03 2000 0.738E-02 0.157E-01
DAV: 22 -0.444190398119E+03 -0.93394E-03 -0.40248E-04 1960 0.458E-02 0.111E-01
DAV: 23 -0.444192411544E+03 -0.20134E-02 -0.11646E-03 2192 0.661E-02 0.518E-02
DAV: 24 -0.444193474689E+03 -0.10631E-02 -0.36768E-04 2016 0.426E-02 0.534E-02
DAV: 25 -0.444194209543E+03 -0.73485E-03 -0.15386E-04 1888 0.322E-02 0.451E-02
DAV: 26 -0.444194713351E+03 -0.50381E-03 -0.13856E-04 1800 0.239E-02 0.318E-02
DAV: 27 -0.444194946575E+03 -0.23322E-03 -0.38095E-05 1632 0.154E-02 0.231E-02
DAV: 28 -0.444195076675E+03 -0.13010E-03 -0.27748E-05 1376 0.145E-02 0.144E-02
DAV: 29 -0.444195146085E+03 -0.69410E-04 -0.16161E-05 1296 0.107E-02 0.978E-03
DAV: 30 -0.444195165746E+03 -0.19661E-04 -0.51069E-06 1000 0.645E-03 0.620E-03
DAV: 31 -0.444195179699E+03 -0.13954E-04 -0.94463E-06 1104 0.847E-03 0.778E-03
DAV: 32 -0.444195188850E+03 -0.91507E-05 -0.37369E-06 1000 0.549E-03
1 F= -.44419519E+03 E0= -.44418846E+03 d E =-.201826E-01