iterations/neb0_image01_iter67_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 0.208836544159E+04 0.20884E+04 -0.11606E+05 1704 0.105E+03
DAV: 2 -0.141269748813E+03 -0.22296E+04 -0.21422E+04 2144 0.261E+02
DAV: 3 -0.461757721324E+03 -0.32049E+03 -0.31687E+03 1896 0.107E+02
DAV: 4 -0.475285538513E+03 -0.13528E+02 -0.13305E+02 1944 0.227E+01
DAV: 5 -0.475826627359E+03 -0.54109E+00 -0.54067E+00 2128 0.394E+00 0.435E+01
DAV: 6 -0.458991437052E+03 0.16835E+02 -0.24234E+02 2048 0.321E+01 0.412E+01
DAV: 7 -0.449855498017E+03 0.91359E+01 -0.42083E+01 1756 0.140E+01 0.198E+01
DAV: 8 -0.445414450507E+03 0.44410E+01 -0.84078E+00 1800 0.700E+00 0.113E+01
DAV: 9 -0.446533839170E+03 -0.11194E+01 -0.24202E+01 2112 0.776E+00 0.989E+00
DAV: 10 -0.446013871515E+03 0.51997E+00 -0.14550E+00 1824 0.220E+00 0.891E+00
DAV: 11 -0.444854590110E+03 0.11593E+01 -0.19163E+00 1952 0.242E+00 0.561E+00
DAV: 12 -0.444986160021E+03 -0.13157E+00 -0.71077E+00 2064 0.266E+00 0.139E+01
DAV: 13 -0.444489033777E+03 0.49713E+00 -0.62385E+00 1976 0.249E+00 0.382E+00
DAV: 14 -0.444523401780E+03 -0.34368E-01 -0.14342E-01 1864 0.746E-01 0.344E+00
DAV: 15 -0.444400260044E+03 0.12314E+00 -0.20849E-02 2008 0.479E-01 0.143E+00
DAV: 16 -0.444405392979E+03 -0.51329E-02 -0.11424E-02 1880 0.339E-01 0.982E-01
DAV: 17 -0.444416268601E+03 -0.10876E-01 -0.16186E-01 2088 0.372E-01 0.812E-01
DAV: 18 -0.444421081564E+03 -0.48130E-02 -0.46226E-03 1920 0.173E-01 0.367E-01
DAV: 19 -0.444421210335E+03 -0.12877E-03 -0.16325E-03 1896 0.918E-02 0.208E-01
DAV: 20 -0.444422309066E+03 -0.10987E-02 -0.73502E-04 1928 0.690E-02 0.539E-02
DAV: 21 -0.444423334612E+03 -0.10255E-02 -0.22697E-04 1816 0.368E-02 0.566E-02
DAV: 22 -0.444424457486E+03 -0.11229E-02 -0.18225E-04 1856 0.376E-02 0.158E-01
DAV: 23 -0.444424411802E+03 0.45685E-04 -0.19175E-04 1984 0.424E-02 0.279E-02
DAV: 24 -0.444424790154E+03 -0.37835E-03 -0.51359E-05 1688 0.186E-02 0.271E-02
DAV: 25 -0.444425226805E+03 -0.43665E-03 -0.11446E-04 1864 0.248E-02 0.281E-02
DAV: 26 -0.444425370684E+03 -0.14388E-03 -0.27626E-05 1528 0.173E-02 0.159E-02
DAV: 27 -0.444425483701E+03 -0.11302E-03 -0.30115E-05 1688 0.113E-02 0.122E-02
DAV: 28 -0.444425502520E+03 -0.18819E-04 -0.50950E-06 1032 0.569E-03 0.584E-03
DAV: 29 -0.444425530114E+03 -0.27594E-04 -0.58216E-06 1120 0.660E-03 0.199E-02
DAV: 30 -0.444425539494E+03 -0.93801E-05 -0.28162E-06 984 0.456E-03
1 F= -.44442554E+03 E0= -.44441859E+03 d E =-.208341E-01