iterations/neb0_image04_iter40_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 0.209000142342E+04 0.20900E+04 -0.11613E+05 1704 0.105E+03
DAV: 2 -0.140963852902E+03 -0.22310E+04 -0.21398E+04 2128 0.262E+02
DAV: 3 -0.465960272015E+03 -0.32500E+03 -0.32154E+03 1864 0.107E+02
DAV: 4 -0.478355291155E+03 -0.12395E+02 -0.12340E+02 1928 0.224E+01
DAV: 5 -0.478831289916E+03 -0.47600E+00 -0.47576E+00 2144 0.382E+00 0.430E+01
DAV: 6 -0.447579053790E+03 0.31252E+02 -0.14636E+02 2008 0.318E+01 0.387E+01
DAV: 7 -0.454602005359E+03 -0.70230E+01 -0.31391E+02 1904 0.138E+01 0.211E+01
DAV: 8 -0.448548521670E+03 0.60535E+01 -0.90007E+00 1816 0.754E+00 0.129E+01
DAV: 9 -0.446057903538E+03 0.24906E+01 -0.22145E+01 2040 0.112E+01 0.915E+00
DAV: 10 -0.445232468082E+03 0.82544E+00 -0.42270E+00 1888 0.351E+00 0.100E+01
DAV: 11 -0.444683051862E+03 0.54942E+00 -0.56582E-01 1944 0.169E+00 0.691E+00
DAV: 12 -0.445105252154E+03 -0.42220E+00 -0.10530E+01 2136 0.397E+00 0.722E+00
DAV: 13 -0.444218185780E+03 0.88707E+00 -0.88788E-01 1936 0.328E+00 0.518E+00
DAV: 14 -0.444093828567E+03 0.12436E+00 -0.12935E+00 1888 0.110E+00 0.133E+00
DAV: 15 -0.444164511506E+03 -0.70683E-01 -0.48926E-01 1968 0.766E-01 0.461E+00
DAV: 16 -0.444044308317E+03 0.12020E+00 -0.29087E-01 1864 0.558E-01 0.164E+00
DAV: 17 -0.444078054739E+03 -0.33746E-01 -0.71922E-02 1904 0.425E-01 0.426E-01
DAV: 18 -0.444100794382E+03 -0.22740E-01 -0.15550E-02 1896 0.285E-01 0.414E-01
DAV: 19 -0.444100826661E+03 -0.32279E-04 -0.68190E-03 1928 0.134E-01 0.362E-01
DAV: 20 -0.444101730339E+03 -0.90368E-03 -0.11377E-03 1872 0.694E-02 0.197E-01
DAV: 21 -0.444106242286E+03 -0.45119E-02 -0.16494E-03 1952 0.800E-02 0.259E-01
DAV: 22 -0.444108449272E+03 -0.22070E-02 -0.18115E-03 1896 0.707E-02 0.114E-01
DAV: 23 -0.444109863042E+03 -0.14138E-02 -0.35114E-04 1912 0.379E-02 0.910E-02
DAV: 24 -0.444110740497E+03 -0.87745E-03 -0.23044E-04 1832 0.258E-02 0.420E-02
DAV: 25 -0.444111479307E+03 -0.73881E-03 -0.10567E-04 1584 0.180E-02 0.592E-02
DAV: 26 -0.444111783229E+03 -0.30392E-03 -0.11273E-04 1664 0.167E-02 0.182E-02
DAV: 27 -0.444111884231E+03 -0.10100E-03 -0.14216E-05 1176 0.763E-03 0.903E-03
DAV: 28 -0.444111977275E+03 -0.93044E-04 -0.67177E-06 1200 0.748E-03 0.642E-03
DAV: 29 -0.444112016077E+03 -0.38802E-04 -0.48294E-06 1016 0.456E-03 0.759E-03
DAV: 30 -0.444112030573E+03 -0.14496E-04 -0.25923E-06 944 0.344E-03 0.492E-03
DAV: 31 -0.444112054018E+03 -0.23445E-04 -0.38528E-06 1072 0.471E-03 0.366E-03
DAV: 32 -0.444112056472E+03 -0.24545E-05 -0.58482E-07 936 0.213E-03
1 F= -.44411206E+03 E0= -.44409304E+03 d E =-.570414E-01