iterations/neb0_image04_iter14_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 0.208842991292E+04 0.20884E+04 -0.11607E+05 1704 0.105E+03
DAV: 2 -0.140259801500E+03 -0.22287E+04 -0.21370E+04 2144 0.261E+02
DAV: 3 -0.465195064237E+03 -0.32494E+03 -0.32141E+03 1888 0.107E+02
DAV: 4 -0.477471536649E+03 -0.12276E+02 -0.12233E+02 1968 0.223E+01
DAV: 5 -0.477920460906E+03 -0.44892E+00 -0.44871E+00 2144 0.371E+00 0.428E+01
DAV: 6 -0.447706277561E+03 0.30214E+02 -0.14638E+02 2024 0.320E+01 0.368E+01
DAV: 7 -0.452839120169E+03 -0.51328E+01 -0.15219E+02 1864 0.151E+01 0.203E+01
DAV: 8 -0.446644697416E+03 0.61944E+01 -0.93296E+00 1792 0.901E+00 0.126E+01
DAV: 9 -0.446749149483E+03 -0.10445E+00 -0.29635E+01 1984 0.144E+01 0.197E+01
DAV: 10 -0.444601790695E+03 0.21474E+01 -0.25775E+01 1848 0.463E+00 0.904E+00
DAV: 11 -0.444167778438E+03 0.43401E+00 -0.75859E-01 2040 0.166E+00 0.874E+00
DAV: 12 -0.443881388744E+03 0.28639E+00 -0.34110E-01 1976 0.117E+00 0.566E+00
DAV: 13 -0.443841739275E+03 0.39649E-01 -0.29169E+00 2152 0.143E+00 0.973E+00
DAV: 14 -0.443753095434E+03 0.88644E-01 -0.78592E+00 2160 0.175E+00 0.702E+00
DAV: 15 -0.443841277025E+03 -0.88182E-01 -0.56936E+00 2040 0.223E+00 0.669E+00
DAV: 16 -0.443660332991E+03 0.18094E+00 -0.21863E-01 1824 0.106E+00 0.677E+00
DAV: 17 -0.443488501363E+03 0.17183E+00 -0.79955E-02 2136 0.465E-01 0.407E+00
DAV: 18 -0.443523014532E+03 -0.34513E-01 -0.85179E-01 2288 0.887E-01 0.275E+00
DAV: 19 -0.443566736206E+03 -0.43722E-01 -0.13164E-01 1936 0.663E-01 0.138E+00
DAV: 20 -0.443570433853E+03 -0.36976E-02 -0.44527E-02 1864 0.250E-01 0.135E+00
DAV: 21 -0.443568397268E+03 0.20366E-02 -0.12555E-02 2016 0.218E-01 0.844E-01
DAV: 22 -0.443569606040E+03 -0.12088E-02 -0.34916E-03 1824 0.102E-01 0.738E-01
DAV: 23 -0.443571966400E+03 -0.23604E-02 -0.17497E-03 1976 0.824E-02 0.468E-01
DAV: 24 -0.443577785541E+03 -0.58191E-02 -0.62695E-03 2096 0.103E-01 0.301E-01
DAV: 25 -0.443581291167E+03 -0.35056E-02 -0.76223E-04 1864 0.670E-02 0.191E-01
DAV: 26 -0.443583249522E+03 -0.19584E-02 -0.15857E-03 1840 0.482E-02 0.647E-01
DAV: 27 -0.443579702274E+03 0.35472E-02 -0.10574E-03 1888 0.509E-02 0.273E-01
DAV: 28 -0.443581838848E+03 -0.21366E-02 -0.30791E-04 1904 0.423E-02 0.191E-01
DAV: 29 -0.443582602047E+03 -0.76320E-03 -0.17043E-04 1768 0.200E-02 0.653E-02
DAV: 30 -0.443583210551E+03 -0.60850E-03 -0.52792E-05 1320 0.165E-02 0.103E-01
DAV: 31 -0.443583407173E+03 -0.19662E-03 -0.44588E-05 1488 0.123E-02 0.547E-02
DAV: 32 -0.443583555120E+03 -0.14795E-03 -0.21256E-05 1264 0.957E-03 0.115E-02
DAV: 33 -0.443583633007E+03 -0.77887E-04 -0.71000E-06 1000 0.760E-03 0.106E-02
DAV: 34 -0.443583656352E+03 -0.23345E-04 -0.73386E-06 984 0.408E-03 0.183E-02
DAV: 35 -0.443583664791E+03 -0.84385E-05 -0.17280E-06 920 0.285E-03
1 F= -.44358366E+03 E0= -.44355841E+03 d E =-.757790E-01