iterations/neb0_image03_iter12_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 0.209555256909E+04 0.20956E+04 -0.11598E+05 1696 0.105E+03
DAV: 2 -0.137233351451E+03 -0.22328E+04 -0.21436E+04 2144 0.261E+02
DAV: 3 -0.464344413749E+03 -0.32711E+03 -0.32293E+03 1856 0.108E+02
DAV: 4 -0.477332294817E+03 -0.12988E+02 -0.12934E+02 1976 0.228E+01
DAV: 5 -0.477815172157E+03 -0.48288E+00 -0.48264E+00 2136 0.384E+00 0.431E+01
DAV: 6 -0.450248285188E+03 0.27567E+02 -0.14740E+02 2016 0.318E+01 0.407E+01
DAV: 7 -0.454187381610E+03 -0.39391E+01 -0.13426E+02 1816 0.151E+01 0.217E+01
DAV: 8 -0.447624153934E+03 0.65632E+01 -0.94666E+00 1872 0.959E+00 0.136E+01
DAV: 9 -0.446024430167E+03 0.15997E+01 -0.19701E+01 2088 0.124E+01 0.123E+01
DAV: 10 -0.445228921326E+03 0.79551E+00 -0.39277E+00 1872 0.367E+00 0.113E+01
DAV: 11 -0.444618421675E+03 0.61050E+00 -0.68815E-01 2032 0.184E+00 0.101E+01
DAV: 12 -0.443966849409E+03 0.65157E+00 -0.65029E+00 2136 0.328E+00 0.894E+00
DAV: 13 -0.443868770403E+03 0.98079E-01 -0.44605E+00 1920 0.285E+00 0.675E+00
DAV: 14 -0.443565695841E+03 0.30307E+00 -0.25101E+00 1912 0.146E+00 0.382E+00
DAV: 15 -0.443552605506E+03 0.13090E-01 -0.17748E-01 1904 0.587E-01 0.143E+00
DAV: 16 -0.443604434583E+03 -0.51829E-01 -0.17690E-01 1896 0.384E-01 0.395E+00
DAV: 17 -0.443537629773E+03 0.66805E-01 -0.33350E-01 2472 0.552E-01 0.892E-01
DAV: 18 -0.443569362833E+03 -0.31733E-01 -0.16602E-02 1840 0.284E-01 0.528E-01
DAV: 19 -0.443570118861E+03 -0.75603E-03 -0.34141E-03 1976 0.126E-01 0.626E-01
DAV: 20 -0.443570283202E+03 -0.16434E-03 -0.13575E-03 1968 0.108E-01 0.537E-01
DAV: 21 -0.443573844606E+03 -0.35614E-02 -0.27004E-03 1960 0.118E-01 0.428E-01
DAV: 22 -0.443575874581E+03 -0.20300E-02 -0.90209E-04 1880 0.717E-02 0.806E-02
DAV: 23 -0.443578232071E+03 -0.23575E-02 -0.40687E-04 1944 0.452E-02 0.122E-01
DAV: 24 -0.443579407744E+03 -0.11757E-02 -0.28229E-04 1832 0.355E-02 0.511E-02
DAV: 25 -0.443580238715E+03 -0.83097E-03 -0.12313E-04 1672 0.245E-02 0.891E-02
DAV: 26 -0.443580646016E+03 -0.40730E-03 -0.12566E-04 1768 0.234E-02 0.186E-02
DAV: 27 -0.443580741518E+03 -0.95502E-04 -0.14725E-05 1200 0.993E-03 0.138E-02
DAV: 28 -0.443580855546E+03 -0.11403E-03 -0.17256E-05 1296 0.113E-02 0.263E-02
DAV: 29 -0.443580905736E+03 -0.50190E-04 -0.80205E-06 1144 0.758E-03 0.116E-02
DAV: 30 -0.443580939035E+03 -0.33299E-04 -0.36768E-06 1024 0.464E-03 0.665E-03
DAV: 31 -0.443580953542E+03 -0.14507E-04 -0.22746E-06 952 0.425E-03 0.517E-03
DAV: 32 -0.443580966057E+03 -0.12515E-04 -0.10978E-06 960 0.282E-03 0.556E-03
DAV: 33 -0.443580972949E+03 -0.68916E-05 -0.73882E-07 936 0.205E-03
1 F= -.44358097E+03 E0= -.44356948E+03 d E =-.344682E-01