iterations/neb0_image02_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 0.208794771793E+04 0.20879E+04 -0.11606E+05 1704 0.105E+03
DAV: 2 -0.141520837843E+03 -0.22295E+04 -0.21416E+04 2144 0.261E+02
DAV: 3 -0.462986750946E+03 -0.32147E+03 -0.31629E+03 1928 0.107E+02
DAV: 4 -0.476268691832E+03 -0.13282E+02 -0.13229E+02 1928 0.228E+01
DAV: 5 -0.476734673100E+03 -0.46598E+00 -0.46569E+00 2172 0.379E+00 0.432E+01
DAV: 6 -0.455032896179E+03 0.21702E+02 -0.14947E+02 2056 0.321E+01 0.407E+01
DAV: 7 -0.452906201167E+03 0.21267E+01 -0.42119E+01 1784 0.142E+01 0.219E+01
DAV: 8 -0.445949432674E+03 0.69568E+01 -0.95729E+00 1816 0.824E+00 0.131E+01
DAV: 9 -0.448021734567E+03 -0.20723E+01 -0.28594E+01 2064 0.112E+01 0.201E+01
DAV: 10 -0.445681084679E+03 0.23406E+01 -0.21724E+01 1856 0.386E+00 0.102E+01
DAV: 11 -0.445550741418E+03 0.13034E+00 -0.28410E-01 1960 0.969E-01 0.980E+00
DAV: 12 -0.445374243578E+03 0.17650E+00 -0.97140E-02 1936 0.853E-01 0.893E+00
DAV: 13 -0.445633798292E+03 -0.25955E+00 -0.13328E+00 1944 0.343E+00 0.124E+01
DAV: 14 -0.445037054619E+03 0.59674E+00 -0.18071E+00 1960 0.174E+00 0.638E+00
DAV: 15 -0.444605355826E+03 0.43170E+00 -0.50869E-01 2080 0.151E+00 0.451E+00
DAV: 16 -0.444460280065E+03 0.14508E+00 -0.11483E-01 1896 0.765E-01 0.392E+00
DAV: 17 -0.444363614339E+03 0.96666E-01 -0.12133E-02 2072 0.387E-01 0.326E+00
DAV: 18 -0.444199431807E+03 0.16418E+00 -0.79903E-01 2224 0.117E+00 0.238E+00
DAV: 19 -0.444173085919E+03 0.26346E-01 -0.44382E-02 1816 0.429E-01 0.144E+00
DAV: 20 -0.444173059301E+03 0.26618E-04 -0.71399E-03 1944 0.189E-01 0.112E+00
DAV: 21 -0.444174613318E+03 -0.15540E-02 -0.12846E-02 1864 0.278E-01 0.432E-01
DAV: 22 -0.444173498334E+03 0.11150E-02 -0.98705E-03 2008 0.358E-01 0.294E-01
DAV: 23 -0.444179304777E+03 -0.58064E-02 -0.57457E-03 1888 0.163E-01 0.577E-01
DAV: 24 -0.444178717708E+03 0.58707E-03 -0.51988E-04 1864 0.468E-02 0.469E-01
DAV: 25 -0.444177916231E+03 0.80148E-03 -0.51926E-04 2120 0.916E-02 0.367E-01
DAV: 26 -0.444177970557E+03 -0.54326E-04 -0.10136E-03 1840 0.810E-02 0.322E-01
DAV: 27 -0.444178837062E+03 -0.86650E-03 -0.14793E-03 1832 0.953E-02 0.661E-02
DAV: 28 -0.444179478701E+03 -0.64164E-03 -0.26410E-04 1856 0.398E-02 0.599E-02
DAV: 29 -0.444179756682E+03 -0.27798E-03 -0.68562E-05 1704 0.262E-02 0.280E-02
DAV: 30 -0.444180194968E+03 -0.43829E-03 -0.61150E-05 1720 0.197E-02 0.366E-02
DAV: 31 -0.444180285013E+03 -0.90045E-04 -0.23607E-05 1400 0.128E-02 0.237E-02
DAV: 32 -0.444180398512E+03 -0.11350E-03 -0.27047E-05 1480 0.161E-02 0.459E-02
DAV: 33 -0.444180406238E+03 -0.77262E-05 -0.10576E-05 1264 0.101E-02
1 F= -.44418041E+03 E0= -.44417313E+03 d E =-.218188E-01