iterations/neb0_image03_iter1_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 0.210314992779E+04 0.21031E+04 -0.11606E+05 1696 0.105E+03
DAV: 2 -0.138298804386E+03 -0.22414E+04 -0.21535E+04 2160 0.262E+02
DAV: 3 -0.463955780057E+03 -0.32566E+03 -0.32159E+03 1880 0.107E+02
DAV: 4 -0.476612189728E+03 -0.12656E+02 -0.12612E+02 1984 0.226E+01
DAV: 5 -0.477054236857E+03 -0.44205E+00 -0.44182E+00 2088 0.372E+00 0.435E+01
DAV: 6 -0.448320196695E+03 0.28734E+02 -0.14817E+02 2016 0.321E+01 0.410E+01
DAV: 7 -0.453353137785E+03 -0.50329E+01 -0.18795E+02 1816 0.155E+01 0.218E+01
DAV: 8 -0.446941807605E+03 0.64113E+01 -0.10246E+01 1856 0.914E+00 0.136E+01
DAV: 9 -0.444330131042E+03 0.26117E+01 -0.17965E+01 2112 0.122E+01 0.119E+01
DAV: 10 -0.443530796200E+03 0.79933E+00 -0.39267E+00 1896 0.379E+00 0.108E+01
DAV: 11 -0.442915153989E+03 0.61564E+00 -0.44618E-01 2072 0.209E+00 0.981E+00
DAV: 12 -0.444139179632E+03 -0.12240E+01 -0.25887E+01 2224 0.468E+00 0.100E+01
DAV: 13 -0.442519905895E+03 0.16193E+01 -0.13730E+00 2008 0.348E+00 0.855E+00
DAV: 14 -0.442355620367E+03 0.16429E+00 -0.32738E-01 1848 0.963E-01 0.707E+00
DAV: 15 -0.442354917236E+03 0.70313E-03 -0.92230E-03 2128 0.162E-01 0.703E+00
DAV: 16 -0.442314789154E+03 0.40128E-01 -0.50438E-02 2184 0.613E-01 0.636E+00
DAV: 17 -0.442279802890E+03 0.34986E-01 -0.97514E-01 1944 0.142E+00 0.293E+00
DAV: 18 -0.442412280022E+03 -0.13248E+00 -0.19977E-01 1768 0.598E-01 0.463E+00
DAV: 19 -0.442351510021E+03 0.60770E-01 -0.13294E-01 2160 0.449E-01 0.244E+00
DAV: 20 -0.442366114750E+03 -0.14605E-01 -0.11883E-01 1912 0.660E-01 0.296E+00
DAV: 21 -0.442346315882E+03 0.19799E-01 -0.19714E-01 1984 0.409E-01 0.185E+00
DAV: 22 -0.442348081309E+03 -0.17654E-02 -0.51809E-02 1888 0.399E-01 0.550E-01
DAV: 23 -0.442358415542E+03 -0.10334E-01 -0.12487E-02 1880 0.194E-01 0.531E-01
DAV: 24 -0.442358693047E+03 -0.27751E-03 -0.25142E-03 2016 0.113E-01 0.794E-01
DAV: 25 -0.442357288475E+03 0.14046E-02 -0.36454E-03 1952 0.118E-01 0.292E-01
DAV: 26 -0.442362557802E+03 -0.52693E-02 -0.37382E-03 1888 0.909E-02 0.306E-01
DAV: 27 -0.442363189389E+03 -0.63159E-03 -0.20329E-03 1832 0.569E-02 0.183E-01
DAV: 28 -0.442364590088E+03 -0.14007E-02 -0.43911E-04 1768 0.407E-02 0.719E-02
DAV: 29 -0.442364959408E+03 -0.36932E-03 -0.95278E-05 1632 0.243E-02 0.756E-02
DAV: 30 -0.442365368907E+03 -0.40950E-03 -0.21207E-04 1840 0.302E-02 0.147E-01
DAV: 31 -0.442365440177E+03 -0.71271E-04 -0.20419E-04 1688 0.233E-02 0.408E-02
DAV: 32 -0.442365700904E+03 -0.26073E-03 -0.30021E-05 1400 0.103E-02 0.484E-02
DAV: 33 -0.442365786871E+03 -0.85967E-04 -0.20488E-05 1264 0.716E-03 0.858E-02
DAV: 34 -0.442365747159E+03 0.39712E-04 -0.19324E-05 1016 0.642E-03 0.438E-02
DAV: 35 -0.442365798324E+03 -0.51165E-04 -0.52002E-06 936 0.542E-03 0.311E-02
DAV: 36 -0.442365818185E+03 -0.19860E-04 -0.30839E-06 936 0.340E-03 0.177E-02
DAV: 37 -0.442365834834E+03 -0.16650E-04 -0.35483E-06 984 0.322E-03 0.360E-03
DAV: 38 -0.442365842722E+03 -0.78875E-05 -0.66297E-07 912 0.200E-03
1 F= -.44236584E+03 E0= -.44235092E+03 d E =-.447611E-01