iterations/neb0_image09_iter73_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 0.209713388469E+04 0.20971E+04 -0.11611E+05 1704 0.105E+03
DAV: 2 -0.139460060340E+03 -0.22366E+04 -0.21443E+04 2128 0.262E+02
DAV: 3 -0.466143037178E+03 -0.32668E+03 -0.32318E+03 1840 0.108E+02
DAV: 4 -0.479248558785E+03 -0.13106E+02 -0.13048E+02 1968 0.229E+01
DAV: 5 -0.479730560448E+03 -0.48200E+00 -0.48174E+00 2112 0.384E+00 0.428E+01
DAV: 6 -0.447062991653E+03 0.32668E+02 -0.14311E+02 2024 0.307E+01 0.271E+01
DAV: 7 -0.449181110952E+03 -0.21181E+01 -0.77456E+01 1960 0.111E+01 0.137E+01
DAV: 8 -0.446172226105E+03 0.30089E+01 -0.81495E+00 2432 0.805E+00 0.793E+00
DAV: 9 -0.446657752625E+03 -0.48553E+00 -0.10168E+01 1824 0.362E+00 0.445E+00
DAV: 10 -0.446121390260E+03 0.53636E+00 -0.50572E-01 2104 0.368E+00 0.486E+00
DAV: 11 -0.446273882699E+03 -0.15249E+00 -0.46744E+00 2040 0.196E+00 0.407E+00
DAV: 12 -0.445994317388E+03 0.27957E+00 -0.78329E-01 2072 0.146E+00 0.188E+00
DAV: 13 -0.446010287556E+03 -0.15970E-01 -0.56129E-01 1880 0.792E-01 0.202E+00
DAV: 14 -0.445982923285E+03 0.27364E-01 -0.69359E-02 1848 0.452E-01 0.322E-01
DAV: 15 -0.445987287676E+03 -0.43644E-02 -0.18590E-02 2056 0.270E-01 0.485E-01
DAV: 16 -0.445988467637E+03 -0.11800E-02 -0.64071E-03 1856 0.149E-01 0.110E-01
DAV: 17 -0.445990594174E+03 -0.21265E-02 -0.89041E-04 1944 0.700E-02 0.101E-01
DAV: 18 -0.445994220149E+03 -0.36260E-02 -0.23666E-03 1928 0.101E-01 0.280E-01
DAV: 19 -0.445995540573E+03 -0.13204E-02 -0.22734E-03 1896 0.631E-02 0.107E-01
DAV: 20 -0.445996941568E+03 -0.14010E-02 -0.16867E-03 1872 0.504E-02 0.244E-01
DAV: 21 -0.445997451997E+03 -0.51043E-03 -0.10659E-03 2016 0.513E-02 0.574E-02
DAV: 22 -0.445997906110E+03 -0.45411E-03 -0.22045E-04 1824 0.267E-02 0.115E-01
DAV: 23 -0.445998000166E+03 -0.94056E-04 -0.49046E-05 1616 0.190E-02 0.974E-02
DAV: 24 -0.445998082448E+03 -0.82281E-04 -0.28879E-04 1696 0.220E-02 0.295E-02
DAV: 25 -0.445998205211E+03 -0.12276E-03 -0.35960E-05 1344 0.122E-02 0.811E-03
DAV: 26 -0.445998279792E+03 -0.74582E-04 -0.19007E-05 1168 0.584E-03 0.275E-02
DAV: 27 -0.445998310674E+03 -0.30882E-04 -0.13103E-05 984 0.632E-03 0.381E-03
DAV: 28 -0.445998334788E+03 -0.24114E-04 -0.43133E-06 1032 0.470E-03 0.225E-03
DAV: 29 -0.445998339045E+03 -0.42567E-05 -0.84677E-07 936 0.209E-03
1 F= -.44599834E+03 E0= -.44597180E+03 d E =-.796134E-01