iterations/neb0_image01_iter33_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 0.208831858725E+04 0.20883E+04 -0.11606E+05 1704 0.105E+03
DAV: 2 -0.141138611551E+03 -0.22295E+04 -0.21420E+04 2144 0.261E+02
DAV: 3 -0.461626094041E+03 -0.32049E+03 -0.31696E+03 1888 0.107E+02
DAV: 4 -0.475085260684E+03 -0.13459E+02 -0.13263E+02 1968 0.227E+01
DAV: 5 -0.475615283208E+03 -0.53002E+00 -0.52810E+00 2128 0.387E+00 0.434E+01
DAV: 6 -0.458213339083E+03 0.17402E+02 -0.23795E+02 2048 0.317E+01 0.412E+01
DAV: 7 -0.450127007821E+03 0.80863E+01 -0.43154E+01 1772 0.138E+01 0.201E+01
DAV: 8 -0.445574985752E+03 0.45520E+01 -0.83153E+00 1792 0.701E+00 0.115E+01
DAV: 9 -0.446508079238E+03 -0.93309E+00 -0.24801E+01 2056 0.838E+00 0.980E+00
DAV: 10 -0.446007121610E+03 0.50096E+00 -0.16474E+00 1824 0.231E+00 0.883E+00
DAV: 11 -0.444993052360E+03 0.10141E+01 -0.11036E+00 1960 0.216E+00 0.589E+00
DAV: 12 -0.444841998099E+03 0.15105E+00 -0.33508E+00 2040 0.286E+00 0.132E+01
DAV: 13 -0.444540891247E+03 0.30111E+00 -0.12018E+01 1984 0.251E+00 0.368E+00
DAV: 14 -0.444546597855E+03 -0.57066E-02 -0.13465E-01 1880 0.756E-01 0.326E+00
DAV: 15 -0.444402487445E+03 0.14411E+00 -0.20875E-02 1984 0.550E-01 0.178E+00
DAV: 16 -0.444387869726E+03 0.14618E-01 -0.13973E-01 1976 0.454E-01 0.509E-01
DAV: 17 -0.444408107137E+03 -0.20237E-01 -0.34231E-02 1912 0.312E-01 0.628E-01
DAV: 18 -0.444414870649E+03 -0.67635E-02 -0.10064E-01 1872 0.289E-01 0.998E-01
DAV: 19 -0.444410188714E+03 0.46819E-02 -0.27175E-03 1872 0.141E-01 0.494E-01
DAV: 20 -0.444409815383E+03 0.37333E-03 -0.15754E-03 1992 0.109E-01 0.788E-02
DAV: 21 -0.444412610531E+03 -0.27951E-02 -0.66496E-04 1960 0.695E-02 0.659E-02
DAV: 22 -0.444413054097E+03 -0.44357E-03 -0.21396E-04 1856 0.355E-02 0.912E-02
DAV: 23 -0.444413869723E+03 -0.81563E-03 -0.98934E-05 1808 0.273E-02 0.158E-01
DAV: 24 -0.444413869334E+03 0.38841E-06 -0.14445E-04 2032 0.404E-02 0.276E-02
DAV: 25 -0.444414372086E+03 -0.50275E-03 -0.56348E-05 1760 0.164E-02 0.157E-02
DAV: 26 -0.444414669185E+03 -0.29710E-03 -0.50346E-05 1608 0.152E-02 0.122E-02
DAV: 27 -0.444414715531E+03 -0.46346E-04 -0.65616E-06 1144 0.698E-03 0.130E-02
DAV: 28 -0.444414757526E+03 -0.41995E-04 -0.49299E-06 1192 0.546E-03 0.357E-03
DAV: 29 -0.444414774030E+03 -0.16505E-04 -0.16798E-06 960 0.321E-03 0.242E-03
DAV: 30 -0.444414796602E+03 -0.22572E-04 -0.29804E-06 1056 0.458E-03 0.693E-03
DAV: 31 -0.444414801916E+03 -0.53138E-05 -0.87035E-07 936 0.247E-03
1 F= -.44441480E+03 E0= -.44440772E+03 d E =-.212326E-01