iterations/neb0_image07_iter3_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 0.210861543928E+04 0.21086E+04 -0.11605E+05 1696 0.105E+03
DAV: 2 -0.136533421902E+03 -0.22451E+04 -0.21565E+04 2160 0.262E+02
DAV: 3 -0.463074760316E+03 -0.32654E+03 -0.32142E+03 1888 0.108E+02
DAV: 4 -0.476003744199E+03 -0.12929E+02 -0.12882E+02 1968 0.228E+01
DAV: 5 -0.476470520993E+03 -0.46678E+00 -0.46653E+00 2120 0.380E+00 0.432E+01
DAV: 6 -0.447143830473E+03 0.29327E+02 -0.14831E+02 2048 0.315E+01 0.273E+01
DAV: 7 -0.444276815129E+03 0.28670E+01 -0.23353E+01 1928 0.120E+01 0.123E+01
DAV: 8 -0.443891861904E+03 0.38495E+00 -0.40918E+00 1952 0.555E+00 0.620E+00
DAV: 9 -0.444923167313E+03 -0.10313E+01 -0.10850E+01 2320 0.382E+00 0.853E+00
DAV: 10 -0.443774281920E+03 0.11489E+01 -0.11317E+00 2752 0.390E+00 0.340E+00
DAV: 11 -0.443749660763E+03 0.24621E-01 -0.98737E-01 1872 0.140E+00 0.887E-01
DAV: 12 -0.443752981284E+03 -0.33205E-02 -0.78952E-02 1912 0.592E-01 0.809E-01
DAV: 13 -0.443761414920E+03 -0.84336E-02 -0.52971E-02 2128 0.425E-01 0.911E-01
DAV: 14 -0.443761507382E+03 -0.92462E-04 -0.49348E-02 2128 0.387E-01 0.658E-01
DAV: 15 -0.443759871654E+03 0.16357E-02 -0.62882E-03 1896 0.177E-01 0.139E-01
DAV: 16 -0.443763033426E+03 -0.31618E-02 -0.22351E-03 1944 0.105E-01 0.129E-01
DAV: 17 -0.443764748632E+03 -0.17152E-02 -0.66906E-04 2072 0.542E-02 0.523E-02
DAV: 18 -0.443766801947E+03 -0.20533E-02 -0.38931E-04 2128 0.581E-02 0.415E-02
DAV: 19 -0.443769222381E+03 -0.24204E-02 -0.59224E-04 1792 0.448E-02 0.579E-02
DAV: 20 -0.443769804642E+03 -0.58226E-03 -0.13415E-04 1880 0.243E-02 0.215E-02
DAV: 21 -0.443770854347E+03 -0.10497E-02 -0.16177E-04 1760 0.200E-02 0.219E-02
DAV: 22 -0.443771114895E+03 -0.26055E-03 -0.37402E-05 1400 0.132E-02 0.837E-03
DAV: 23 -0.443771269128E+03 -0.15423E-03 -0.36564E-05 1680 0.138E-02 0.783E-03
DAV: 24 -0.443771349697E+03 -0.80569E-04 -0.60960E-06 1112 0.636E-03 0.102E-02
DAV: 25 -0.443771394029E+03 -0.44333E-04 -0.81067E-06 1056 0.754E-03 0.266E-03
DAV: 26 -0.443771418921E+03 -0.24892E-04 -0.32223E-06 952 0.469E-03 0.544E-03
DAV: 27 -0.443771431759E+03 -0.12838E-04 -0.16040E-06 968 0.353E-03 0.203E-03
DAV: 28 -0.443771442187E+03 -0.10428E-04 -0.97648E-07 968 0.221E-03 0.127E-03
DAV: 29 -0.443771447636E+03 -0.54498E-05 -0.62499E-07 936 0.236E-03
1 F= -.44377145E+03 E0= -.44375673E+03 d E =-.441471E-01