iterations/neb0_image05_iter4_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 0.209567909641E+04 0.20957E+04 -0.11610E+05 1704 0.105E+03
DAV: 2 -0.137034689792E+03 -0.22327E+04 -0.21415E+04 2136 0.262E+02
DAV: 3 -0.462972308373E+03 -0.32594E+03 -0.32123E+03 1872 0.108E+02
DAV: 4 -0.475838627635E+03 -0.12866E+02 -0.12811E+02 1960 0.227E+01
DAV: 5 -0.476326510737E+03 -0.48788E+00 -0.48764E+00 2152 0.385E+00 0.433E+01
DAV: 6 -0.446722379083E+03 0.29604E+02 -0.14864E+02 2040 0.318E+01 0.298E+01
DAV: 7 -0.446290506494E+03 0.43187E+00 -0.68126E+01 1912 0.138E+01 0.163E+01
DAV: 8 -0.444181124672E+03 0.21094E+01 -0.68045E+00 2176 0.112E+01 0.976E+00
DAV: 9 -0.443406266278E+03 0.77486E+00 -0.91391E+00 2096 0.569E+00 0.934E+00
DAV: 10 -0.443472713098E+03 -0.66447E-01 -0.15911E+01 1976 0.303E+00 0.601E+00
DAV: 11 -0.443183190821E+03 0.28952E+00 -0.21442E+00 2080 0.259E+00 0.320E+00
DAV: 12 -0.443190441136E+03 -0.72503E-02 -0.14651E+00 2008 0.187E+00 0.403E+00
DAV: 13 -0.443072273282E+03 0.11817E+00 -0.14818E+00 2048 0.131E+00 0.232E+00
DAV: 14 -0.443025701747E+03 0.46572E-01 -0.24253E-01 1968 0.764E-01 0.153E+00
DAV: 15 -0.443043245071E+03 -0.17543E-01 -0.15239E-01 1992 0.408E-01 0.407E+00
DAV: 16 -0.443031056261E+03 0.12189E-01 -0.23957E-01 1936 0.381E-01 0.174E+00
DAV: 17 -0.443022222369E+03 0.88339E-02 -0.11409E-01 2072 0.477E-01 0.905E-01
DAV: 18 -0.443027909034E+03 -0.56867E-02 -0.80394E-03 1880 0.173E-01 0.122E+00
DAV: 19 -0.443024649002E+03 0.32600E-02 -0.20252E-02 2032 0.194E-01 0.603E-01
DAV: 20 -0.443031730297E+03 -0.70813E-02 -0.86802E-03 1888 0.111E-01 0.853E-01
DAV: 21 -0.443029853951E+03 0.18763E-02 -0.57349E-03 1848 0.843E-02 0.115E-01
DAV: 22 -0.443034660824E+03 -0.48069E-02 -0.51535E-03 1976 0.655E-02 0.994E-01
DAV: 23 -0.443032654529E+03 0.20063E-02 -0.32561E-03 1824 0.723E-02 0.209E-01
DAV: 24 -0.443035317235E+03 -0.26627E-02 -0.12381E-03 1880 0.469E-02 0.795E-02
DAV: 25 -0.443036131782E+03 -0.81455E-03 -0.17721E-04 1672 0.200E-02 0.187E-01
DAV: 26 -0.443036381569E+03 -0.24979E-03 -0.17684E-04 1504 0.206E-02 0.115E-01
DAV: 27 -0.443036684400E+03 -0.30283E-03 -0.18019E-04 1728 0.152E-02 0.377E-02
DAV: 28 -0.443036791367E+03 -0.10697E-03 -0.12637E-05 1112 0.956E-03 0.388E-02
DAV: 29 -0.443036816346E+03 -0.24980E-04 -0.60126E-06 992 0.595E-03 0.278E-02
DAV: 30 -0.443036836410E+03 -0.20064E-04 -0.23533E-06 952 0.326E-03 0.186E-02
DAV: 31 -0.443036877683E+03 -0.41273E-04 -0.51258E-06 1096 0.355E-03 0.457E-03
DAV: 32 -0.443036889236E+03 -0.11553E-04 -0.11115E-06 936 0.212E-03 0.282E-03
DAV: 33 -0.443036894587E+03 -0.53512E-05 -0.54484E-07 936 0.177E-03
1 F= -.44303689E+03 E0= -.44303097E+03 d E =-.177627E-01