iterations/neb0_image03_iter23_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 0.209889187823E+04 0.20989E+04 -0.11601E+05 1696 0.105E+03
DAV: 2 -0.137598814907E+03 -0.22365E+04 -0.21465E+04 2152 0.262E+02
DAV: 3 -0.464570031038E+03 -0.32697E+03 -0.32235E+03 1864 0.108E+02
DAV: 4 -0.477464468098E+03 -0.12894E+02 -0.12842E+02 1968 0.228E+01
DAV: 5 -0.477951531275E+03 -0.48706E+00 -0.48683E+00 2144 0.386E+00 0.433E+01
DAV: 6 -0.451343847926E+03 0.26608E+02 -0.14758E+02 2008 0.314E+01 0.414E+01
DAV: 7 -0.454418542640E+03 -0.30747E+01 -0.13534E+02 1784 0.146E+01 0.219E+01
DAV: 8 -0.447904633894E+03 0.65139E+01 -0.98987E+00 1840 0.911E+00 0.136E+01
DAV: 9 -0.446360116643E+03 0.15445E+01 -0.17040E+01 2096 0.118E+01 0.119E+01
DAV: 10 -0.445599390738E+03 0.76073E+00 -0.43764E+00 1864 0.371E+00 0.109E+01
DAV: 11 -0.445038084024E+03 0.56131E+00 -0.45338E-01 2040 0.193E+00 0.974E+00
DAV: 12 -0.444623034813E+03 0.41505E+00 -0.85182E+00 2104 0.383E+00 0.964E+00
DAV: 13 -0.444290676321E+03 0.33236E+00 -0.73271E-01 1984 0.333E+00 0.637E+00
DAV: 14 -0.443955780943E+03 0.33490E+00 -0.18978E+00 1864 0.144E+00 0.229E+00
DAV: 15 -0.443979871837E+03 -0.24091E-01 -0.70127E-02 1888 0.636E-01 0.835E-01
DAV: 16 -0.443997412836E+03 -0.17541E-01 -0.20124E-02 1920 0.331E-01 0.190E+00
DAV: 17 -0.443984219591E+03 0.13193E-01 -0.10916E-02 1968 0.332E-01 0.768E-01
DAV: 18 -0.443991096882E+03 -0.68773E-02 -0.37877E-03 1816 0.149E-01 0.259E-01
DAV: 19 -0.443994104323E+03 -0.30074E-02 -0.15160E-03 1864 0.923E-02 0.155E-01
DAV: 20 -0.443996595760E+03 -0.24914E-02 -0.92738E-04 1880 0.808E-02 0.603E-02
DAV: 21 -0.443997040070E+03 -0.44431E-03 -0.32820E-04 1888 0.434E-02 0.107E-01
DAV: 22 -0.443998292738E+03 -0.12527E-02 -0.17543E-04 1888 0.330E-02 0.899E-02
DAV: 23 -0.444000052201E+03 -0.17595E-02 -0.43187E-04 1800 0.455E-02 0.119E-01
DAV: 24 -0.444000312780E+03 -0.26058E-03 -0.98837E-05 1816 0.284E-02 0.113E-01
DAV: 25 -0.444000512801E+03 -0.20002E-03 -0.36871E-05 1472 0.165E-02 0.426E-02
DAV: 26 -0.444000734911E+03 -0.22211E-03 -0.46038E-05 1672 0.168E-02 0.664E-02
DAV: 27 -0.444000752059E+03 -0.17147E-04 -0.71903E-06 1152 0.852E-03 0.407E-02
DAV: 28 -0.444000797104E+03 -0.45045E-04 -0.92643E-06 1000 0.832E-03 0.203E-02
DAV: 29 -0.444000823639E+03 -0.26535E-04 -0.20693E-06 960 0.447E-03 0.820E-03
DAV: 30 -0.444000843209E+03 -0.19570E-04 -0.34584E-06 976 0.573E-03 0.338E-03
DAV: 31 -0.444000853553E+03 -0.10344E-04 -0.11617E-06 936 0.274E-03 0.308E-03
DAV: 32 -0.444000863489E+03 -0.99361E-05 -0.53834E-07 952 0.195E-03
1 F= -.44400086E+03 E0= -.44398612E+03 d E =-.442219E-01