iterations/neb0_image04_iter72_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 0.209119178887E+04 0.20912E+04 -0.11610E+05 1704 0.105E+03
DAV: 2 -0.138459797844E+03 -0.22297E+04 -0.21401E+04 2128 0.262E+02
DAV: 3 -0.464391054648E+03 -0.32593E+03 -0.32141E+03 1856 0.107E+02
DAV: 4 -0.477456480030E+03 -0.13065E+02 -0.13014E+02 1976 0.228E+01
DAV: 5 -0.477924707444E+03 -0.46823E+00 -0.46797E+00 2128 0.378E+00 0.430E+01
DAV: 6 -0.449030532877E+03 0.28894E+02 -0.14861E+02 2008 0.319E+01 0.378E+01
DAV: 7 -0.453385420355E+03 -0.43549E+01 -0.24024E+02 1896 0.152E+01 0.207E+01
DAV: 8 -0.447258291378E+03 0.61271E+01 -0.95108E+00 1768 0.884E+00 0.126E+01
DAV: 9 -0.445990102379E+03 0.12682E+01 -0.22455E+01 1936 0.124E+01 0.105E+01
DAV: 10 -0.445352672187E+03 0.63743E+00 -0.35934E+00 1896 0.371E+00 0.889E+00
DAV: 11 -0.444640709803E+03 0.71196E+00 -0.53010E+00 2128 0.416E+00 0.557E+00
DAV: 12 -0.445048251985E+03 -0.40754E+00 -0.82066E+00 2128 0.339E+00 0.547E+00
DAV: 13 -0.444531765673E+03 0.51649E+00 -0.33486E-01 2032 0.171E+00 0.322E+00
DAV: 14 -0.444518948991E+03 0.12817E-01 -0.18279E+00 1992 0.156E+00 0.372E+00
DAV: 15 -0.444484802334E+03 0.34147E-01 -0.14747E-01 1864 0.644E-01 0.222E+00
DAV: 16 -0.444510217445E+03 -0.25415E-01 -0.30231E-02 2016 0.187E-01 0.316E+00
DAV: 17 -0.444462146841E+03 0.48071E-01 -0.97765E-02 2256 0.352E-01 0.108E+00
DAV: 18 -0.444473983246E+03 -0.11836E-01 -0.70917E-02 1920 0.414E-01 0.517E-01
DAV: 19 -0.444479988995E+03 -0.60057E-02 -0.70085E-03 2000 0.178E-01 0.551E-01
DAV: 20 -0.444482116435E+03 -0.21274E-02 -0.20077E-03 2000 0.111E-01 0.658E-01
DAV: 21 -0.444480403305E+03 0.17131E-02 -0.52944E-03 2216 0.145E-01 0.236E-01
DAV: 22 -0.444482617381E+03 -0.22141E-02 -0.26419E-03 1992 0.923E-02 0.198E-01
DAV: 23 -0.444482946883E+03 -0.32950E-03 -0.60655E-04 1976 0.507E-02 0.107E-01
DAV: 24 -0.444483965046E+03 -0.10182E-02 -0.37408E-04 1904 0.422E-02 0.130E-01
DAV: 25 -0.444485958415E+03 -0.19934E-02 -0.61904E-04 1824 0.453E-02 0.114E-01
DAV: 26 -0.444486617055E+03 -0.65864E-03 -0.29973E-04 1816 0.330E-02 0.425E-02
DAV: 27 -0.444486844064E+03 -0.22701E-03 -0.83736E-05 1784 0.192E-02 0.566E-02
DAV: 28 -0.444486928090E+03 -0.84026E-04 -0.15792E-05 1264 0.943E-03 0.412E-02
DAV: 29 -0.444487099020E+03 -0.17093E-03 -0.98407E-05 1656 0.184E-02 0.271E-02
DAV: 30 -0.444487141564E+03 -0.42544E-04 -0.14196E-05 1264 0.845E-03 0.143E-02
DAV: 31 -0.444487154119E+03 -0.12555E-04 -0.27926E-06 936 0.459E-03 0.173E-02
DAV: 32 -0.444487165436E+03 -0.11317E-04 -0.52873E-06 984 0.556E-03 0.684E-03
DAV: 33 -0.444487174508E+03 -0.90719E-05 -0.25736E-06 936 0.354E-03
1 F= -.44448717E+03 E0= -.44448379E+03 d E =-.101408E-01