./iterations/neb0_image03_iter19_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 0.209708656869E+04 0.20971E+04 -0.11600E+05 1696 0.105E+03
DAV: 2 -0.137672453924E+03 -0.22348E+04 -0.21454E+04 2152 0.262E+02
DAV: 3 -0.464518950666E+03 -0.32685E+03 -0.32242E+03 1856 0.108E+02
DAV: 4 -0.477426231153E+03 -0.12907E+02 -0.12854E+02 1968 0.229E+01
DAV: 5 -0.477929065659E+03 -0.50283E+00 -0.50259E+00 2136 0.391E+00 0.432E+01
DAV: 6 -0.450729250748E+03 0.27200E+02 -0.14691E+02 2016 0.316E+01 0.410E+01
DAV: 7 -0.454488150894E+03 -0.37589E+01 -0.13814E+02 1792 0.148E+01 0.218E+01
DAV: 8 -0.447959086209E+03 0.65291E+01 -0.97254E+00 1848 0.912E+00 0.135E+01
DAV: 9 -0.446190064338E+03 0.17690E+01 -0.17894E+01 2136 0.119E+01 0.120E+01
DAV: 10 -0.445428008744E+03 0.76206E+00 -0.40887E+00 1872 0.368E+00 0.108E+01
DAV: 11 -0.444890781163E+03 0.53723E+00 -0.39543E-01 2032 0.189E+00 0.984E+00
DAV: 12 -0.444563712286E+03 0.32707E+00 -0.89401E+00 2120 0.377E+00 0.935E+00
DAV: 13 -0.444106614541E+03 0.45710E+00 -0.61205E-01 2008 0.313E+00 0.637E+00
DAV: 14 -0.443908297988E+03 0.19832E+00 -0.27751E+00 1856 0.135E+00 0.461E+00
DAV: 15 -0.443873683415E+03 0.34615E-01 -0.74271E-01 1960 0.806E-01 0.168E+00
DAV: 16 -0.443904096961E+03 -0.30414E-01 -0.27487E-02 1880 0.486E-01 0.242E+00
DAV: 17 -0.443883272644E+03 0.20824E-01 -0.12809E-02 1856 0.313E-01 0.429E-01
DAV: 18 -0.443896790792E+03 -0.13518E-01 -0.57686E-03 1872 0.174E-01 0.519E-01
DAV: 19 -0.443897053629E+03 -0.26284E-03 -0.17384E-03 2024 0.101E-01 0.175E-01
DAV: 20 -0.443900535401E+03 -0.34818E-02 -0.67441E-04 1864 0.682E-02 0.595E-02
DAV: 21 -0.443902560155E+03 -0.20248E-02 -0.47116E-04 2024 0.624E-02 0.271E-01
DAV: 22 -0.443903018456E+03 -0.45830E-03 -0.30794E-04 1992 0.570E-02 0.116E-01
DAV: 23 -0.443904416851E+03 -0.13984E-02 -0.31370E-04 2016 0.467E-02 0.517E-02
DAV: 24 -0.443904978686E+03 -0.56183E-03 -0.12900E-04 1960 0.297E-02 0.332E-02
DAV: 25 -0.443905082134E+03 -0.10345E-03 -0.23524E-05 1312 0.134E-02 0.154E-02
DAV: 26 -0.443905142025E+03 -0.59891E-04 -0.10295E-05 992 0.867E-03 0.979E-03
DAV: 27 -0.443905245904E+03 -0.10388E-03 -0.13668E-05 1232 0.814E-03 0.106E-02
DAV: 28 -0.443905271490E+03 -0.25586E-04 -0.56820E-06 1120 0.813E-03 0.502E-03
DAV: 29 -0.443905283541E+03 -0.12051E-04 -0.55655E-06 936 0.623E-03 0.718E-03
DAV: 30 -0.443905302465E+03 -0.18924E-04 -0.15716E-06 968 0.340E-03 0.521E-03
DAV: 31 -0.443905315061E+03 -0.12596E-04 -0.95339E-07 936 0.241E-03 0.295E-03
DAV: 32 -0.443905327213E+03 -0.12151E-04 -0.95425E-07 1000 0.275E-03 0.645E-03
DAV: 33 -0.443905331093E+03 -0.38798E-05 -0.57943E-07 936 0.234E-03
1 F= -.44390533E+03 E0= -.44389622E+03 d E =-.273403E-01