iterations/neb0_image09_iter17_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 0.209560477565E+04 0.20956E+04 -0.11610E+05 1704 0.105E+03
DAV: 2 -0.141955137558E+03 -0.22376E+04 -0.21488E+04 2144 0.262E+02
DAV: 3 -0.466285138766E+03 -0.32433E+03 -0.32090E+03 1848 0.108E+02
DAV: 4 -0.479026668535E+03 -0.12742E+02 -0.12692E+02 1968 0.227E+01
DAV: 5 -0.479484048471E+03 -0.45738E+00 -0.45714E+00 2136 0.378E+00 0.426E+01
DAV: 6 -0.447281635656E+03 0.32202E+02 -0.14311E+02 2024 0.307E+01 0.270E+01
DAV: 7 -0.448810693779E+03 -0.15291E+01 -0.69516E+01 1912 0.112E+01 0.136E+01
DAV: 8 -0.446418003728E+03 0.23927E+01 -0.78666E+00 2448 0.800E+00 0.964E+00
DAV: 9 -0.446921603260E+03 -0.50360E+00 -0.21162E+01 2016 0.447E+00 0.542E+00
DAV: 10 -0.445896176707E+03 0.10254E+01 -0.87897E-01 2200 0.408E+00 0.208E+00
DAV: 11 -0.445926427507E+03 -0.30251E-01 -0.84019E-01 1888 0.148E+00 0.179E+00
DAV: 12 -0.445946900273E+03 -0.20473E-01 -0.79554E-01 1976 0.855E-01 0.288E+00
DAV: 13 -0.446033937527E+03 -0.87037E-01 -0.19621E+00 2432 0.100E+00 0.429E+00
DAV: 14 -0.445900067056E+03 0.13387E+00 -0.20174E-01 2072 0.662E-01 0.125E+00
DAV: 15 -0.445901646942E+03 -0.15799E-02 -0.89808E-02 2072 0.400E-01 0.508E-01
DAV: 16 -0.445905388891E+03 -0.37419E-02 -0.61348E-03 1808 0.197E-01 0.178E-01
DAV: 17 -0.445907638049E+03 -0.22492E-02 -0.15921E-03 2080 0.877E-02 0.433E-01
DAV: 18 -0.445909321771E+03 -0.16837E-02 -0.30419E-03 1880 0.924E-02 0.159E-01
DAV: 19 -0.445911317048E+03 -0.19953E-02 -0.68586E-04 1912 0.681E-02 0.166E-01
DAV: 20 -0.445912996239E+03 -0.16792E-02 -0.71835E-04 2088 0.658E-02 0.306E-02
DAV: 21 -0.445914651052E+03 -0.16548E-02 -0.25715E-04 1760 0.332E-02 0.245E-02
DAV: 22 -0.445915588231E+03 -0.93718E-03 -0.15790E-04 1760 0.240E-02 0.751E-02
DAV: 23 -0.445915833879E+03 -0.24565E-03 -0.11490E-04 1704 0.221E-02 0.338E-02
DAV: 24 -0.445915995248E+03 -0.16137E-03 -0.32094E-05 1544 0.136E-02 0.332E-02
DAV: 25 -0.445916066174E+03 -0.70926E-04 -0.13898E-05 1088 0.937E-03 0.119E-02
DAV: 26 -0.445916138812E+03 -0.72637E-04 -0.12296E-05 1200 0.871E-03 0.124E-02
DAV: 27 -0.445916187537E+03 -0.48726E-04 -0.70633E-06 1040 0.623E-03 0.697E-03
DAV: 28 -0.445916202319E+03 -0.14782E-04 -0.21231E-06 936 0.332E-03 0.562E-03
DAV: 29 -0.445916216863E+03 -0.14544E-04 -0.15198E-06 976 0.326E-03 0.839E-03
DAV: 30 -0.445916221999E+03 -0.51364E-05 -0.76062E-07 936 0.198E-03
1 F= -.44591622E+03 E0= -.44589066E+03 d E =-.766767E-01