iterations/neb0_image04_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 0.208812572309E+04 0.20881E+04 -0.11606E+05 1704 0.105E+03
DAV: 2 -0.140516441554E+03 -0.22286E+04 -0.21405E+04 2152 0.261E+02
DAV: 3 -0.464807087434E+03 -0.32429E+03 -0.32071E+03 1872 0.107E+02
DAV: 4 -0.477177296104E+03 -0.12370E+02 -0.12322E+02 1968 0.223E+01
DAV: 5 -0.477638316255E+03 -0.46102E+00 -0.46073E+00 2136 0.374E+00 0.428E+01
DAV: 6 -0.447382944743E+03 0.30255E+02 -0.14646E+02 2032 0.321E+01 0.360E+01
DAV: 7 -0.452105886904E+03 -0.47229E+01 -0.13668E+02 1856 0.154E+01 0.200E+01
DAV: 8 -0.445815117635E+03 0.62908E+01 -0.92316E+00 1808 0.963E+00 0.126E+01
DAV: 9 -0.447375083381E+03 -0.15600E+01 -0.31684E+01 2016 0.153E+01 0.214E+01
DAV: 10 -0.444196994337E+03 0.31781E+01 -0.16684E+01 1832 0.503E+00 0.894E+00
DAV: 11 -0.443690160369E+03 0.50683E+00 -0.89814E-01 2056 0.181E+00 0.825E+00
DAV: 12 -0.443506861582E+03 0.18330E+00 -0.70053E-01 1968 0.110E+00 0.657E+00
DAV: 13 -0.443398908987E+03 0.10795E+00 -0.21129E-01 2200 0.894E-01 0.519E+00
DAV: 14 -0.443233909940E+03 0.16500E+00 -0.67596E-01 1944 0.184E+00 0.426E+00
DAV: 15 -0.443265806021E+03 -0.31896E-01 -0.15197E+00 1928 0.146E+00 0.415E+00
DAV: 16 -0.443185794711E+03 0.80011E-01 -0.77416E-01 1968 0.827E-01 0.156E+00
DAV: 17 -0.443198468372E+03 -0.12674E-01 -0.76979E-02 1856 0.547E-01 0.118E+00
DAV: 18 -0.443204034755E+03 -0.55664E-02 -0.20714E-02 1904 0.260E-01 0.986E-01
DAV: 19 -0.443203419908E+03 0.61485E-03 -0.88095E-03 2088 0.165E-01 0.527E-01
DAV: 20 -0.443208903898E+03 -0.54840E-02 -0.90744E-03 1840 0.142E-01 0.504E-01
DAV: 21 -0.443209925502E+03 -0.10216E-02 -0.25773E-03 2120 0.123E-01 0.332E-01
DAV: 22 -0.443214250570E+03 -0.43251E-02 -0.54093E-03 2256 0.109E-01 0.658E-01
DAV: 23 -0.443212181918E+03 0.20687E-02 -0.39686E-03 1856 0.956E-02 0.159E-01
DAV: 24 -0.443215777957E+03 -0.35960E-02 -0.92998E-04 1936 0.664E-02 0.155E-01
DAV: 25 -0.443217132731E+03 -0.13548E-02 -0.77956E-04 1808 0.471E-02 0.819E-02
DAV: 26 -0.443217742289E+03 -0.60956E-03 -0.14567E-04 1896 0.300E-02 0.109E-01
DAV: 27 -0.443217977006E+03 -0.23472E-03 -0.11138E-04 1680 0.243E-02 0.550E-02
DAV: 28 -0.443218234493E+03 -0.25749E-03 -0.73215E-05 1600 0.148E-02 0.363E-02
DAV: 29 -0.443218379583E+03 -0.14509E-03 -0.28370E-05 1392 0.137E-02 0.699E-02
DAV: 30 -0.443218412294E+03 -0.32711E-04 -0.71209E-05 1280 0.115E-02 0.169E-02
DAV: 31 -0.443218487324E+03 -0.75030E-04 -0.71815E-06 1200 0.651E-03 0.895E-03
DAV: 32 -0.443218504086E+03 -0.16762E-04 -0.25557E-06 952 0.375E-03 0.572E-03
DAV: 33 -0.443218515911E+03 -0.11825E-04 -0.23598E-06 984 0.256E-03 0.585E-03
DAV: 34 -0.443218522253E+03 -0.63418E-05 -0.88636E-07 928 0.177E-03
1 F= -.44321852E+03 E0= -.44319447E+03 d E =-.721582E-01