iterations/neb0_image04_iter34_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 0.209026867412E+04 0.20903E+04 -0.11613E+05 1704 0.105E+03
DAV: 2 -0.141788262608E+03 -0.22321E+04 -0.21411E+04 2136 0.262E+02
DAV: 3 -0.466296449145E+03 -0.32451E+03 -0.32109E+03 1872 0.108E+02
DAV: 4 -0.478576661501E+03 -0.12280E+02 -0.12228E+02 1960 0.222E+01
DAV: 5 -0.479022385059E+03 -0.44572E+00 -0.44549E+00 2120 0.372E+00 0.432E+01
DAV: 6 -0.447238518867E+03 0.31784E+02 -0.14591E+02 2032 0.315E+01 0.375E+01
DAV: 7 -0.454305674477E+03 -0.70672E+01 -0.28617E+02 1920 0.137E+01 0.207E+01
DAV: 8 -0.448285235409E+03 0.60204E+01 -0.85029E+00 1800 0.751E+00 0.125E+01
DAV: 9 -0.445914487399E+03 0.23707E+01 -0.17622E+01 2032 0.112E+01 0.101E+01
DAV: 10 -0.445058584506E+03 0.85590E+00 -0.32270E+00 1912 0.342E+00 0.104E+01
DAV: 11 -0.444306959211E+03 0.75163E+00 -0.13184E+00 1984 0.185E+00 0.503E+00
DAV: 12 -0.444746401679E+03 -0.43944E+00 -0.10593E+01 2160 0.329E+00 0.700E+00
DAV: 13 -0.444075136225E+03 0.67127E+00 -0.11491E+00 2048 0.215E+00 0.212E+00
DAV: 14 -0.444084703483E+03 -0.95673E-02 -0.19989E-01 2040 0.966E-01 0.183E+00
DAV: 15 -0.444368675404E+03 -0.28397E+00 -0.12484E+00 1920 0.106E+00 0.621E+00
DAV: 16 -0.444066470469E+03 0.30220E+00 -0.15273E+00 2064 0.105E+00 0.154E+00
DAV: 17 -0.444092424421E+03 -0.25954E-01 -0.95283E-02 2136 0.530E-01 0.200E+00
DAV: 18 -0.444080994503E+03 0.11430E-01 -0.38912E-02 1952 0.284E-01 0.112E+00
DAV: 19 -0.444102247435E+03 -0.21253E-01 -0.14229E-02 1920 0.222E-01 0.151E+00
DAV: 20 -0.444086245698E+03 0.16002E-01 -0.26897E-02 2024 0.240E-01 0.357E-01
DAV: 21 -0.444095107895E+03 -0.88622E-02 -0.50796E-03 1968 0.129E-01 0.270E-01
DAV: 22 -0.444099743679E+03 -0.46358E-02 -0.38026E-03 1872 0.855E-02 0.233E-01
DAV: 23 -0.444101350161E+03 -0.16065E-02 -0.50345E-04 1904 0.478E-02 0.240E-01
DAV: 24 -0.444103080524E+03 -0.17304E-02 -0.70213E-04 1920 0.533E-02 0.207E-01
DAV: 25 -0.444103676823E+03 -0.59630E-03 -0.29684E-04 1872 0.331E-02 0.156E-01
DAV: 26 -0.444104190576E+03 -0.51375E-03 -0.34556E-04 1984 0.358E-02 0.438E-02
DAV: 27 -0.444104690811E+03 -0.50024E-03 -0.85739E-05 1744 0.198E-02 0.358E-02
DAV: 28 -0.444104864605E+03 -0.17379E-03 -0.20021E-05 1336 0.821E-03 0.399E-02
DAV: 29 -0.444104962879E+03 -0.98274E-04 -0.61590E-05 1488 0.169E-02 0.144E-02
DAV: 30 -0.444104995217E+03 -0.32339E-04 -0.13336E-05 1112 0.774E-03 0.118E-02
DAV: 31 -0.444105020438E+03 -0.25221E-04 -0.80727E-06 1016 0.659E-03 0.164E-02
DAV: 32 -0.444105035952E+03 -0.15514E-04 -0.54517E-06 968 0.571E-03 0.143E-02
DAV: 33 -0.444105038854E+03 -0.29011E-05 -0.12137E-06 936 0.280E-03
1 F= -.44410504E+03 E0= -.44408264E+03 d E =-.671862E-01