iterations/neb0_image01_iter43_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 0.208813739194E+04 0.20881E+04 -0.11606E+05 1704 0.105E+03
DAV: 2 -0.140521981593E+03 -0.22287E+04 -0.21396E+04 2136 0.261E+02
DAV: 3 -0.461676426952E+03 -0.32115E+03 -0.31737E+03 1904 0.107E+02
DAV: 4 -0.475425802065E+03 -0.13749E+02 -0.13543E+02 1976 0.228E+01
DAV: 5 -0.475917834523E+03 -0.49203E+00 -0.49172E+00 2136 0.382E+00 0.434E+01
DAV: 6 -0.457505116672E+03 0.18413E+02 -0.20266E+02 2048 0.315E+01 0.411E+01
DAV: 7 -0.450417433352E+03 0.70877E+01 -0.42601E+01 1784 0.138E+01 0.200E+01
DAV: 8 -0.445867815307E+03 0.45496E+01 -0.81830E+00 1792 0.693E+00 0.114E+01
DAV: 9 -0.446248008067E+03 -0.38019E+00 -0.16628E+01 2088 0.794E+00 0.963E+00
DAV: 10 -0.445780402935E+03 0.46761E+00 -0.14142E+00 1840 0.220E+00 0.850E+00
DAV: 11 -0.444865740062E+03 0.91466E+00 -0.75699E-01 1952 0.197E+00 0.594E+00
DAV: 12 -0.445482449254E+03 -0.61671E+00 -0.10987E+01 2040 0.313E+00 0.138E+01
DAV: 13 -0.444279667535E+03 0.12028E+01 -0.70315E-01 1952 0.245E+00 0.346E+00
DAV: 14 -0.444369351872E+03 -0.89684E-01 -0.14007E-01 1888 0.757E-01 0.144E+00
DAV: 15 -0.444359394306E+03 0.99576E-02 -0.12265E-02 1928 0.272E-01 0.109E+00
DAV: 16 -0.444355929511E+03 0.34648E-02 -0.41675E-02 1936 0.306E-01 0.312E-01
DAV: 17 -0.444365920018E+03 -0.99905E-02 -0.86091E-03 1936 0.228E-01 0.176E-01
DAV: 18 -0.444368318708E+03 -0.23987E-02 -0.21264E-03 2120 0.156E-01 0.158E-01
DAV: 19 -0.444368973430E+03 -0.65472E-03 -0.16754E-03 1928 0.931E-02 0.962E-02
DAV: 20 -0.444369522677E+03 -0.54925E-03 -0.37611E-04 2488 0.619E-02 0.561E-02
DAV: 21 -0.444371144715E+03 -0.16220E-02 -0.44617E-04 1904 0.596E-02 0.900E-02
DAV: 22 -0.444371605552E+03 -0.46084E-03 -0.10805E-04 1984 0.263E-02 0.921E-02
DAV: 23 -0.444372021043E+03 -0.41549E-03 -0.18039E-04 1832 0.331E-02 0.481E-02
DAV: 24 -0.444372345532E+03 -0.32449E-03 -0.21028E-05 1456 0.139E-02 0.193E-02
DAV: 25 -0.444373083563E+03 -0.73803E-03 -0.89892E-05 1584 0.212E-02 0.362E-02
DAV: 26 -0.444373156203E+03 -0.72640E-04 -0.22929E-05 1408 0.105E-02 0.335E-02
DAV: 27 -0.444373177776E+03 -0.21573E-04 -0.70650E-06 1080 0.956E-03 0.677E-03
DAV: 28 -0.444373216873E+03 -0.39097E-04 -0.69766E-06 1104 0.670E-03 0.653E-03
DAV: 29 -0.444373241980E+03 -0.25107E-04 -0.37371E-06 1088 0.421E-03 0.322E-03
DAV: 30 -0.444373248707E+03 -0.67265E-05 -0.79309E-07 936 0.194E-03
1 F= -.44437325E+03 E0= -.44436679E+03 d E =-.193783E-01