iterations/neb0_image03_iter18_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 0.209681086835E+04 0.20968E+04 -0.11599E+05 1696 0.105E+03
DAV: 2 -0.137671274952E+03 -0.22345E+04 -0.21451E+04 2152 0.262E+02
DAV: 3 -0.464592108417E+03 -0.32692E+03 -0.32264E+03 1864 0.108E+02
DAV: 4 -0.477417444256E+03 -0.12825E+02 -0.12772E+02 1968 0.228E+01
DAV: 5 -0.477918232449E+03 -0.50079E+00 -0.50054E+00 2136 0.390E+00 0.432E+01
DAV: 6 -0.450616792698E+03 0.27301E+02 -0.14694E+02 2016 0.317E+01 0.408E+01
DAV: 7 -0.454472348699E+03 -0.38556E+01 -0.13671E+02 1808 0.147E+01 0.218E+01
DAV: 8 -0.447935956684E+03 0.65364E+01 -0.98379E+00 1864 0.908E+00 0.134E+01
DAV: 9 -0.446122719810E+03 0.18132E+01 -0.17516E+01 2096 0.119E+01 0.120E+01
DAV: 10 -0.445350432404E+03 0.77229E+00 -0.39750E+00 1872 0.363E+00 0.108E+01
DAV: 11 -0.444811504757E+03 0.53893E+00 -0.42468E-01 2040 0.186E+00 0.982E+00
DAV: 12 -0.444539604633E+03 0.27190E+00 -0.90579E+00 2112 0.373E+00 0.929E+00
DAV: 13 -0.444019223118E+03 0.52038E+00 -0.56988E-01 1928 0.303E+00 0.620E+00
DAV: 14 -0.443905338460E+03 0.11388E+00 -0.32579E+00 1856 0.134E+00 0.602E+00
DAV: 15 -0.443817290298E+03 0.88048E-01 -0.14569E+00 2008 0.920E-01 0.213E+00
DAV: 16 -0.443849582436E+03 -0.32292E-01 -0.35030E-02 1872 0.544E-01 0.217E+00
DAV: 17 -0.443840087899E+03 0.94945E-02 -0.16409E-02 1920 0.305E-01 0.136E+00
DAV: 18 -0.443846225035E+03 -0.61371E-02 -0.23253E-02 2272 0.370E-01 0.134E+00
DAV: 19 -0.443844268981E+03 0.19561E-02 -0.52527E-03 1744 0.156E-01 0.855E-01
DAV: 20 -0.443844091867E+03 0.17711E-03 -0.10044E-03 2008 0.736E-02 0.511E-01
DAV: 21 -0.443848818168E+03 -0.47263E-02 -0.13980E-03 1904 0.101E-01 0.324E-01
DAV: 22 -0.443851284078E+03 -0.24659E-02 -0.53864E-04 1864 0.598E-02 0.132E-01
DAV: 23 -0.443852565518E+03 -0.12814E-02 -0.26711E-04 2144 0.411E-02 0.380E-02
DAV: 24 -0.443854030687E+03 -0.14652E-02 -0.18656E-04 1848 0.303E-02 0.969E-02
DAV: 25 -0.443854664036E+03 -0.63335E-03 -0.11556E-04 1704 0.222E-02 0.845E-02
DAV: 26 -0.443854935651E+03 -0.27162E-03 -0.48972E-05 1592 0.166E-02 0.212E-02
DAV: 27 -0.443855165423E+03 -0.22977E-03 -0.32178E-05 1488 0.144E-02 0.115E-02
DAV: 28 -0.443855219407E+03 -0.53984E-04 -0.70881E-06 1120 0.811E-03 0.376E-02
DAV: 29 -0.443855250197E+03 -0.30789E-04 -0.13110E-05 1176 0.956E-03 0.548E-03
DAV: 30 -0.443855279482E+03 -0.29285E-04 -0.28080E-06 1016 0.500E-03 0.805E-03
DAV: 31 -0.443855289238E+03 -0.97563E-05 -0.39009E-06 936 0.514E-03
1 F= -.44385529E+03 E0= -.44384704E+03 d E =-.247512E-01