iterations/neb0_image01_iter41_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 0.208830785832E+04 0.20883E+04 -0.11606E+05 1704 0.105E+03
DAV: 2 -0.140511263198E+03 -0.22288E+04 -0.21398E+04 2136 0.261E+02
DAV: 3 -0.461799617685E+03 -0.32129E+03 -0.31759E+03 1912 0.107E+02
DAV: 4 -0.475382106451E+03 -0.13582E+02 -0.13350E+02 1976 0.227E+01
DAV: 5 -0.475872013402E+03 -0.48991E+00 -0.48963E+00 2128 0.383E+00 0.435E+01
DAV: 6 -0.457890421462E+03 0.17982E+02 -0.20505E+02 2040 0.316E+01 0.411E+01
DAV: 7 -0.450287687118E+03 0.76027E+01 -0.42031E+01 1784 0.137E+01 0.200E+01
DAV: 8 -0.445720981093E+03 0.45667E+01 -0.81583E+00 1816 0.715E+00 0.114E+01
DAV: 9 -0.446329411643E+03 -0.60843E+00 -0.21199E+01 2028 0.793E+00 0.986E+00
DAV: 10 -0.445817914745E+03 0.51150E+00 -0.14882E+00 1824 0.221E+00 0.843E+00
DAV: 11 -0.445114127484E+03 0.70379E+00 -0.49203E-01 2000 0.167E+00 0.641E+00
DAV: 12 -0.445023035871E+03 0.91092E-01 -0.45519E+00 2056 0.312E+00 0.145E+01
DAV: 13 -0.444374302449E+03 0.64873E+00 -0.57139E+00 1936 0.234E+00 0.347E+00
DAV: 14 -0.444511790525E+03 -0.13749E+00 -0.18365E-01 1952 0.100E+00 0.337E+00
DAV: 15 -0.444404830812E+03 0.10696E+00 -0.26529E-02 1864 0.452E-01 0.269E+00
DAV: 16 -0.444362103118E+03 0.42728E-01 -0.10195E-02 2040 0.298E-01 0.128E+00
DAV: 17 -0.444373367804E+03 -0.11265E-01 -0.42606E-03 1952 0.236E-01 0.135E+00
DAV: 18 -0.444365644395E+03 0.77234E-02 -0.23842E-01 1936 0.421E-01 0.609E-01
DAV: 19 -0.444375785749E+03 -0.10141E-01 -0.56870E-03 1912 0.158E-01 0.342E-01
DAV: 20 -0.444375495837E+03 0.28991E-03 -0.67246E-04 1896 0.580E-02 0.217E-01
DAV: 21 -0.444376892428E+03 -0.13966E-02 -0.45190E-04 2240 0.673E-02 0.175E-01
DAV: 22 -0.444377376122E+03 -0.48369E-03 -0.22828E-04 1832 0.361E-02 0.119E-01
DAV: 23 -0.444378006177E+03 -0.63006E-03 -0.60150E-05 1712 0.228E-02 0.147E-01
DAV: 24 -0.444378187982E+03 -0.18180E-03 -0.14581E-04 1984 0.364E-02 0.390E-02
DAV: 25 -0.444378510397E+03 -0.32241E-03 -0.45084E-05 1696 0.170E-02 0.181E-02
DAV: 26 -0.444378845388E+03 -0.33499E-03 -0.67170E-05 1824 0.207E-02 0.108E-02
DAV: 27 -0.444379008186E+03 -0.16280E-03 -0.33525E-05 1672 0.152E-02 0.164E-02
DAV: 28 -0.444379081391E+03 -0.73205E-04 -0.17557E-05 1352 0.110E-02 0.768E-03
DAV: 29 -0.444379094997E+03 -0.13606E-04 -0.16320E-05 1216 0.981E-03 0.759E-03
DAV: 30 -0.444379109956E+03 -0.14959E-04 -0.23482E-06 968 0.416E-03 0.512E-03
DAV: 31 -0.444379127757E+03 -0.17801E-04 -0.25313E-06 1016 0.396E-03 0.705E-03
DAV: 32 -0.444379136772E+03 -0.90149E-05 -0.49934E-07 944 0.219E-03
1 F= -.44437914E+03 E0= -.44437252E+03 d E =-.198569E-01