iterations/neb0_image02_iter18_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 0.208907340532E+04 0.20891E+04 -0.11607E+05 1704 0.105E+03
DAV: 2 -0.142091624911E+03 -0.22312E+04 -0.21439E+04 2152 0.261E+02
DAV: 3 -0.462677412504E+03 -0.32059E+03 -0.31575E+03 1904 0.107E+02
DAV: 4 -0.476115933520E+03 -0.13439E+02 -0.13379E+02 1944 0.229E+01
DAV: 5 -0.476594287342E+03 -0.47835E+00 -0.47801E+00 2128 0.384E+00 0.433E+01
DAV: 6 -0.455311015797E+03 0.21283E+02 -0.14905E+02 2024 0.320E+01 0.408E+01
DAV: 7 -0.452946206938E+03 0.23648E+01 -0.42546E+01 1776 0.141E+01 0.220E+01
DAV: 8 -0.445995454996E+03 0.69508E+01 -0.94982E+00 1816 0.843E+00 0.132E+01
DAV: 9 -0.448043716620E+03 -0.20483E+01 -0.38320E+01 2072 0.111E+01 0.188E+01
DAV: 10 -0.445988997462E+03 0.20547E+01 -0.14081E+01 1856 0.371E+00 0.103E+01
DAV: 11 -0.445864974134E+03 0.12402E+00 -0.25743E-01 1936 0.919E-01 0.977E+00
DAV: 12 -0.445830332032E+03 0.34642E-01 -0.80555E-02 1984 0.794E-01 0.935E+00
DAV: 13 -0.449911159919E+03 -0.40808E+01 -0.27519E+01 2008 0.499E+00 0.290E+01
DAV: 14 -0.444918187413E+03 0.49930E+01 -0.10387E+01 1800 0.253E+00 0.548E+00
DAV: 15 -0.445139663741E+03 -0.22148E+00 -0.20626E-01 1904 0.976E-01 0.496E+00
DAV: 16 -0.444808840171E+03 0.33082E+00 -0.10665E-01 1984 0.111E+00 0.373E+00
DAV: 17 -0.444480103944E+03 0.32874E+00 -0.91651E-02 1976 0.114E+00 0.305E+00
DAV: 18 -0.444399921503E+03 0.80182E-01 -0.52870E-02 1968 0.575E-01 0.215E+00
DAV: 19 -0.444402360178E+03 -0.24387E-02 -0.18622E-02 1856 0.399E-01 0.266E+00
DAV: 20 -0.444300833884E+03 0.10153E+00 -0.25905E-01 2368 0.676E-01 0.117E+00
DAV: 21 -0.444292971490E+03 0.78624E-02 -0.20865E-02 2000 0.471E-01 0.182E+00
DAV: 22 -0.444270076259E+03 0.22895E-01 -0.81223E-03 1840 0.192E-01 0.109E+00
DAV: 23 -0.444273462853E+03 -0.33866E-02 -0.18230E-03 1928 0.104E-01 0.774E-01
DAV: 24 -0.444278985474E+03 -0.55226E-02 -0.31209E-03 1904 0.137E-01 0.215E-01
DAV: 25 -0.444281906612E+03 -0.29211E-02 -0.11271E-03 1952 0.859E-02 0.143E-01
DAV: 26 -0.444282063878E+03 -0.15727E-03 -0.25248E-04 1912 0.379E-02 0.125E-01
DAV: 27 -0.444282545874E+03 -0.48200E-03 -0.29341E-04 1888 0.421E-02 0.101E-01
DAV: 28 -0.444283343923E+03 -0.79805E-03 -0.43198E-04 2016 0.670E-02 0.183E-01
DAV: 29 -0.444283276486E+03 0.67436E-04 -0.21063E-04 1888 0.362E-02 0.103E-01
DAV: 30 -0.444283547642E+03 -0.27116E-03 -0.60279E-05 1800 0.174E-02 0.923E-02
DAV: 31 -0.444283619574E+03 -0.71932E-04 -0.26686E-05 1544 0.208E-02 0.441E-02
DAV: 32 -0.444283708116E+03 -0.88542E-04 -0.42027E-05 1744 0.152E-02 0.353E-02
DAV: 33 -0.444283720110E+03 -0.11994E-04 -0.12164E-05 1088 0.924E-03 0.300E-02
DAV: 34 -0.444283743878E+03 -0.23767E-04 -0.74335E-06 1048 0.772E-03 0.228E-02
DAV: 35 -0.444283776082E+03 -0.32204E-04 -0.99237E-06 1352 0.129E-02 0.134E-02
DAV: 36 -0.444283788782E+03 -0.12700E-04 -0.80199E-06 1040 0.709E-03 0.595E-03
DAV: 37 -0.444283795479E+03 -0.66966E-05 -0.31007E-06 912 0.456E-03
1 F= -.44428380E+03 E0= -.44427648E+03 d E =-.219460E-01