iterations/neb0_image09_iter70_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 0.209643583462E+04 0.20964E+04 -0.11611E+05 1704 0.105E+03
DAV: 2 -0.139521219226E+03 -0.22360E+04 -0.21437E+04 2128 0.262E+02
DAV: 3 -0.465949876812E+03 -0.32643E+03 -0.32290E+03 1832 0.108E+02
DAV: 4 -0.479210818636E+03 -0.13261E+02 -0.13203E+02 1968 0.230E+01
DAV: 5 -0.479701889507E+03 -0.49107E+00 -0.49080E+00 2112 0.387E+00 0.427E+01
DAV: 6 -0.447038957249E+03 0.32663E+02 -0.14308E+02 2024 0.307E+01 0.271E+01
DAV: 7 -0.449193237498E+03 -0.21543E+01 -0.77977E+01 1968 0.111E+01 0.137E+01
DAV: 8 -0.446155281953E+03 0.30380E+01 -0.82004E+00 2472 0.807E+00 0.780E+00
DAV: 9 -0.446610345351E+03 -0.45506E+00 -0.91710E+00 1824 0.357E+00 0.436E+00
DAV: 10 -0.446150515800E+03 0.45983E+00 -0.49774E-01 2136 0.365E+00 0.523E+00
DAV: 11 -0.446277489668E+03 -0.12697E+00 -0.50617E+00 2040 0.203E+00 0.404E+00
DAV: 12 -0.445987559039E+03 0.28993E+00 -0.75693E-01 2088 0.149E+00 0.178E+00
DAV: 13 -0.445999304147E+03 -0.11745E-01 -0.46844E-01 1912 0.776E-01 0.174E+00
DAV: 14 -0.445978938094E+03 0.20366E-01 -0.47242E-02 1864 0.430E-01 0.337E-01
DAV: 15 -0.445982178473E+03 -0.32404E-02 -0.19390E-02 2152 0.269E-01 0.423E-01
DAV: 16 -0.445983726066E+03 -0.15476E-02 -0.45261E-03 1848 0.143E-01 0.868E-02
DAV: 17 -0.445986001660E+03 -0.22756E-02 -0.21395E-03 2112 0.678E-02 0.201E-01
DAV: 18 -0.445989889829E+03 -0.38882E-02 -0.92586E-03 2224 0.118E-01 0.485E-01
DAV: 19 -0.445990593399E+03 -0.70357E-03 -0.39694E-03 1944 0.812E-02 0.878E-02
DAV: 20 -0.445991697284E+03 -0.11039E-02 -0.79821E-04 1824 0.408E-02 0.918E-02
DAV: 21 -0.445992598963E+03 -0.90168E-03 -0.78875E-04 2096 0.401E-02 0.914E-02
DAV: 22 -0.445993157296E+03 -0.55833E-03 -0.11285E-04 1824 0.228E-02 0.736E-02
DAV: 23 -0.445993350805E+03 -0.19351E-03 -0.51255E-05 1656 0.178E-02 0.591E-02
DAV: 24 -0.445993511383E+03 -0.16058E-03 -0.36407E-04 1720 0.218E-02 0.852E-02
DAV: 25 -0.445993564886E+03 -0.53504E-04 -0.12801E-04 1312 0.162E-02 0.813E-03
DAV: 26 -0.445993640245E+03 -0.75359E-04 -0.15191E-05 1144 0.643E-03 0.170E-02
DAV: 27 -0.445993678434E+03 -0.38189E-04 -0.60072E-06 1016 0.515E-03 0.584E-03
DAV: 28 -0.445993702403E+03 -0.23969E-04 -0.29149E-06 1040 0.391E-03 0.338E-03
DAV: 29 -0.445993705673E+03 -0.32707E-05 -0.71302E-07 936 0.168E-03
1 F= -.44599371E+03 E0= -.44596714E+03 d E =-.796923E-01