iterations/neb0_image06_iter22_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 0.209182074796E+04 0.20918E+04 -0.11609E+05 1704 0.105E+03
DAV: 2 -0.139059911115E+03 -0.22309E+04 -0.21415E+04 2136 0.262E+02
DAV: 3 -0.462005928378E+03 -0.32295E+03 -0.31915E+03 1936 0.107E+02
DAV: 4 -0.475170625079E+03 -0.13165E+02 -0.13000E+02 1944 0.226E+01
DAV: 5 -0.475621090904E+03 -0.45047E+00 -0.45013E+00 2104 0.374E+00 0.430E+01
DAV: 6 -0.450678028346E+03 0.24943E+02 -0.19923E+02 2064 0.325E+01 0.318E+01
DAV: 7 -0.447952349474E+03 0.27257E+01 -0.73785E+01 1960 0.165E+01 0.180E+01
DAV: 8 -0.446092453962E+03 0.18599E+01 -0.15240E+01 2024 0.115E+01 0.102E+01
DAV: 9 -0.445471703471E+03 0.62075E+00 -0.64022E+00 1832 0.612E+00 0.717E+00
DAV: 10 -0.445029291520E+03 0.44241E+00 -0.13822E+00 1832 0.335E+00 0.353E+00
DAV: 11 -0.445191133942E+03 -0.16184E+00 -0.36485E+00 1992 0.292E+00 0.687E+00
DAV: 12 -0.444912040142E+03 0.27909E+00 -0.20754E+00 1968 0.183E+00 0.136E+00
DAV: 13 -0.444949266115E+03 -0.37226E-01 -0.18054E-01 1944 0.102E+00 0.809E-01
DAV: 14 -0.444968025093E+03 -0.18759E-01 -0.29694E-02 1976 0.443E-01 0.145E+00
DAV: 15 -0.444948801094E+03 0.19224E-01 -0.11065E-02 2056 0.377E-01 0.370E-01
DAV: 16 -0.444952844956E+03 -0.40439E-02 -0.98925E-03 1960 0.246E-01 0.188E-01
DAV: 17 -0.444954944484E+03 -0.20995E-02 -0.29771E-03 2064 0.128E-01 0.200E-01
DAV: 18 -0.444955563657E+03 -0.61917E-03 -0.11495E-03 2104 0.988E-02 0.792E-02
DAV: 19 -0.444956566394E+03 -0.10027E-02 -0.31620E-04 1816 0.413E-02 0.422E-02
DAV: 20 -0.444958220264E+03 -0.16539E-02 -0.26740E-04 1848 0.434E-02 0.377E-02
DAV: 21 -0.444959715491E+03 -0.14952E-02 -0.28158E-04 1840 0.345E-02 0.598E-02
DAV: 22 -0.444960416397E+03 -0.70091E-03 -0.13995E-04 1832 0.327E-02 0.197E-02
DAV: 23 -0.444960583061E+03 -0.16666E-03 -0.59428E-05 1800 0.174E-02 0.186E-02
DAV: 24 -0.444960686153E+03 -0.10309E-03 -0.10650E-05 1240 0.110E-02 0.234E-02
DAV: 25 -0.444960794581E+03 -0.10843E-03 -0.52465E-05 1784 0.201E-02 0.995E-03
DAV: 26 -0.444960807707E+03 -0.13126E-04 -0.71548E-06 952 0.879E-03 0.713E-03
DAV: 27 -0.444960829008E+03 -0.21302E-04 -0.86547E-06 1032 0.748E-03 0.523E-03
DAV: 28 -0.444960848254E+03 -0.19245E-04 -0.26582E-06 1008 0.547E-03 0.264E-03
DAV: 29 -0.444960863011E+03 -0.14757E-04 -0.29308E-06 984 0.399E-03 0.293E-03
DAV: 30 -0.444960865619E+03 -0.26081E-05 -0.70523E-07 936 0.241E-03
1 F= -.44496087E+03 E0= -.44495183E+03 d E =-.270994E-01