iterations/neb0_image04_iter10_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 0.208800247214E+04 0.20880E+04 -0.11605E+05 1704 0.105E+03
DAV: 2 -0.139901890481E+03 -0.22279E+04 -0.21402E+04 2144 0.261E+02
DAV: 3 -0.464619889205E+03 -0.32472E+03 -0.32107E+03 1880 0.107E+02
DAV: 4 -0.477021470330E+03 -0.12402E+02 -0.12352E+02 1944 0.224E+01
DAV: 5 -0.477509735102E+03 -0.48826E+00 -0.48798E+00 2152 0.383E+00 0.428E+01
DAV: 6 -0.447289294147E+03 0.30220E+02 -0.14646E+02 2032 0.321E+01 0.353E+01
DAV: 7 -0.451612028090E+03 -0.43227E+01 -0.11715E+02 1856 0.155E+01 0.196E+01
DAV: 8 -0.445324551576E+03 0.62875E+01 -0.91573E+00 1856 0.999E+00 0.123E+01
DAV: 9 -0.448664153989E+03 -0.33396E+01 -0.34364E+01 2064 0.158E+01 0.290E+01
DAV: 10 -0.444210788903E+03 0.44534E+01 -0.44832E+01 1840 0.523E+00 0.884E+00
DAV: 11 -0.443491671715E+03 0.71912E+00 -0.15591E+00 2000 0.208E+00 0.600E+00
DAV: 12 -0.443414014390E+03 0.77657E-01 -0.46108E-01 2000 0.129E+00 0.683E+00
DAV: 13 -0.443396938903E+03 0.17075E-01 -0.18781E+00 2000 0.115E+00 0.894E+00
DAV: 14 -0.443104558940E+03 0.29238E+00 -0.29115E+00 2024 0.120E+00 0.362E+00
DAV: 15 -0.443224858284E+03 -0.12030E+00 -0.18092E+00 2088 0.135E+00 0.569E+00
DAV: 16 -0.443176851318E+03 0.48007E-01 -0.11752E-01 2000 0.721E-01 0.673E+00
DAV: 17 -0.443044222429E+03 0.13263E+00 -0.10127E-01 2016 0.449E-01 0.354E+00
DAV: 18 -0.443089827542E+03 -0.45605E-01 -0.41100E-01 2056 0.829E-01 0.185E+00
DAV: 19 -0.443147078790E+03 -0.57251E-01 -0.57201E-02 1832 0.567E-01 0.191E+00
DAV: 20 -0.443130889023E+03 0.16190E-01 -0.12644E-02 1912 0.220E-01 0.133E+00
DAV: 21 -0.443134805768E+03 -0.39167E-02 -0.46358E-03 1936 0.964E-02 0.864E-01
DAV: 22 -0.443145596477E+03 -0.10791E-01 -0.81217E-03 1880 0.125E-01 0.735E-01
DAV: 23 -0.443150135754E+03 -0.45393E-02 -0.23320E-02 2232 0.198E-01 0.308E-01
DAV: 24 -0.443153689855E+03 -0.35541E-02 -0.16483E-03 1832 0.823E-02 0.282E-01
DAV: 25 -0.443154489203E+03 -0.79935E-03 -0.57905E-04 1976 0.492E-02 0.181E-01
DAV: 26 -0.443156650214E+03 -0.21610E-02 -0.78682E-04 1840 0.584E-02 0.205E-01
DAV: 27 -0.443156838989E+03 -0.18878E-03 -0.45204E-04 1952 0.307E-02 0.965E-02
DAV: 28 -0.443157271132E+03 -0.43214E-03 -0.72812E-05 1576 0.185E-02 0.741E-02
DAV: 29 -0.443157914953E+03 -0.64382E-03 -0.12323E-04 1816 0.217E-02 0.674E-02
DAV: 30 -0.443158173032E+03 -0.25808E-03 -0.81289E-05 1792 0.203E-02 0.475E-02
DAV: 31 -0.443158319395E+03 -0.14636E-03 -0.52735E-05 1632 0.154E-02 0.507E-02
DAV: 32 -0.443158376649E+03 -0.57253E-04 -0.11560E-05 1136 0.779E-03 0.572E-02
DAV: 33 -0.443158428496E+03 -0.51848E-04 -0.12395E-05 1168 0.909E-03 0.407E-02
DAV: 34 -0.443158454727E+03 -0.26231E-04 -0.65318E-06 968 0.511E-03 0.247E-02
DAV: 35 -0.443158483982E+03 -0.29255E-04 -0.41297E-06 952 0.560E-03 0.189E-02
DAV: 36 -0.443158501380E+03 -0.17398E-04 -0.35693E-06 952 0.372E-03 0.634E-03
DAV: 37 -0.443158513055E+03 -0.11675E-04 -0.15129E-06 944 0.317E-03 0.249E-03
DAV: 38 -0.443158515076E+03 -0.20207E-05 -0.57667E-07 912 0.198E-03
1 F= -.44315852E+03 E0= -.44313617E+03 d E =-.670405E-01