iterations/neb0_image09_iter72_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 0.209689851764E+04 0.20969E+04 -0.11611E+05 1704 0.105E+03
DAV: 2 -0.139478554730E+03 -0.22364E+04 -0.21441E+04 2128 0.262E+02
DAV: 3 -0.465973431268E+03 -0.32649E+03 -0.32297E+03 1832 0.108E+02
DAV: 4 -0.479244820610E+03 -0.13271E+02 -0.13214E+02 1976 0.230E+01
DAV: 5 -0.479723048797E+03 -0.47823E+00 -0.47796E+00 2104 0.383E+00 0.427E+01
DAV: 6 -0.447056520507E+03 0.32667E+02 -0.14306E+02 2024 0.307E+01 0.271E+01
DAV: 7 -0.449183754727E+03 -0.21272E+01 -0.77569E+01 1960 0.111E+01 0.137E+01
DAV: 8 -0.446168751675E+03 0.30150E+01 -0.81582E+00 2448 0.807E+00 0.791E+00
DAV: 9 -0.446652309056E+03 -0.48356E+00 -0.10064E+01 1824 0.361E+00 0.444E+00
DAV: 10 -0.446121616681E+03 0.53069E+00 -0.50283E-01 2104 0.368E+00 0.488E+00
DAV: 11 -0.446273077626E+03 -0.15146E+00 -0.46966E+00 2040 0.197E+00 0.407E+00
DAV: 12 -0.445992364326E+03 0.28071E+00 -0.77514E-01 2072 0.146E+00 0.186E+00
DAV: 13 -0.446006351277E+03 -0.13987E-01 -0.52399E-01 1896 0.785E-01 0.192E+00
DAV: 14 -0.445981822983E+03 0.24528E-01 -0.60009E-02 1840 0.443E-01 0.318E-01
DAV: 15 -0.445985873170E+03 -0.40502E-02 -0.18001E-02 2064 0.271E-01 0.458E-01
DAV: 16 -0.445987149335E+03 -0.12762E-02 -0.47980E-03 1848 0.143E-01 0.764E-02
DAV: 17 -0.445989364532E+03 -0.22152E-02 -0.12228E-03 2032 0.657E-02 0.150E-01
DAV: 18 -0.445993116462E+03 -0.37519E-02 -0.46872E-03 2048 0.108E-01 0.397E-01
DAV: 19 -0.445994209035E+03 -0.10926E-02 -0.35787E-03 1944 0.746E-02 0.123E-01
DAV: 20 -0.445995280417E+03 -0.10714E-02 -0.13100E-03 1824 0.447E-02 0.145E-01
DAV: 21 -0.445996087117E+03 -0.80670E-03 -0.51658E-04 1960 0.391E-02 0.338E-02
DAV: 22 -0.445996585312E+03 -0.49819E-03 -0.16343E-04 1832 0.233E-02 0.871E-02
DAV: 23 -0.445996727380E+03 -0.14207E-03 -0.41087E-05 1616 0.171E-02 0.754E-02
DAV: 24 -0.445996843740E+03 -0.11636E-03 -0.22210E-04 1632 0.200E-02 0.391E-02
DAV: 25 -0.445996941766E+03 -0.98026E-04 -0.27969E-05 1232 0.115E-02 0.992E-03
DAV: 26 -0.445997011021E+03 -0.69255E-04 -0.10595E-05 1144 0.566E-03 0.288E-02
DAV: 27 -0.445997034054E+03 -0.23033E-04 -0.20636E-05 976 0.652E-03 0.922E-03
DAV: 28 -0.445997058569E+03 -0.24515E-04 -0.35786E-06 1016 0.414E-03 0.429E-03
DAV: 29 -0.445997067678E+03 -0.91098E-05 -0.94287E-07 936 0.194E-03
1 F= -.44599707E+03 E0= -.44597053E+03 d E =-.796010E-01