iterations/neb0_image01_iter15_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 0.208803324076E+04 0.20880E+04 -0.11606E+05 1704 0.105E+03
DAV: 2 -0.141216713270E+03 -0.22292E+04 -0.21417E+04 2144 0.261E+02
DAV: 3 -0.461829641509E+03 -0.32061E+03 -0.31671E+03 1904 0.107E+02
DAV: 4 -0.475596406345E+03 -0.13767E+02 -0.13600E+02 1976 0.228E+01
DAV: 5 -0.476056688902E+03 -0.46028E+00 -0.45998E+00 2108 0.375E+00 0.434E+01
DAV: 6 -0.457009335894E+03 0.19047E+02 -0.19588E+02 2032 0.317E+01 0.412E+01
DAV: 7 -0.452187982525E+03 0.48214E+01 -0.42439E+01 1772 0.139E+01 0.220E+01
DAV: 8 -0.445411482019E+03 0.67765E+01 -0.98899E+00 1856 0.800E+00 0.106E+01
DAV: 9 -0.445059501506E+03 0.35198E+00 -0.61140E+00 1912 0.574E+00 0.904E+00
DAV: 10 -0.444369927636E+03 0.68957E+00 -0.87380E-01 1896 0.229E+00 0.435E+00
DAV: 11 -0.445081377420E+03 -0.71145E+00 -0.55234E+00 1968 0.178E+00 0.126E+01
DAV: 12 -0.444229466054E+03 0.85191E+00 -0.29530E+00 1944 0.171E+00 0.283E+00
DAV: 13 -0.444361614721E+03 -0.13215E+00 -0.29533E-01 1848 0.576E-01 0.415E-01
DAV: 14 -0.444361863318E+03 -0.24860E-03 -0.13232E-02 1944 0.364E-01 0.240E-01
DAV: 15 -0.444367494539E+03 -0.56312E-02 -0.11950E-02 1912 0.254E-01 0.482E-01
DAV: 16 -0.444367898338E+03 -0.40380E-03 -0.14821E-03 2016 0.116E-01 0.983E-02
DAV: 17 -0.444370458378E+03 -0.25600E-02 -0.84925E-04 2056 0.856E-02 0.116E-01
DAV: 18 -0.444372169898E+03 -0.17115E-02 -0.44985E-04 1952 0.527E-02 0.131E-01
DAV: 19 -0.444374903576E+03 -0.27337E-02 -0.47561E-04 1880 0.548E-02 0.308E-02
DAV: 20 -0.444375904647E+03 -0.10011E-02 -0.15982E-04 1888 0.251E-02 0.246E-02
DAV: 21 -0.444376251039E+03 -0.34639E-03 -0.38663E-05 1592 0.173E-02 0.239E-02
DAV: 22 -0.444377135316E+03 -0.88428E-03 -0.13324E-04 1752 0.204E-02 0.253E-02
DAV: 23 -0.444377302153E+03 -0.16684E-03 -0.31355E-05 1536 0.133E-02 0.363E-02
DAV: 24 -0.444377378652E+03 -0.76500E-04 -0.21767E-05 1240 0.115E-02 0.230E-02
DAV: 25 -0.444377433758E+03 -0.55106E-04 -0.59041E-06 1184 0.731E-03 0.935E-03
DAV: 26 -0.444377486130E+03 -0.52371E-04 -0.79614E-06 1168 0.750E-03 0.289E-03
DAV: 27 -0.444377501589E+03 -0.15459E-04 -0.16291E-06 936 0.315E-03 0.288E-03
DAV: 28 -0.444377515056E+03 -0.13467E-04 -0.12796E-06 1024 0.301E-03 0.185E-03
DAV: 29 -0.444377519974E+03 -0.49176E-05 -0.40860E-07 936 0.166E-03
1 F= -.44437752E+03 E0= -.44437125E+03 d E =-.187969E-01