iterations/neb0_image03_iter3_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 0.209989425073E+04 0.20999E+04 -0.11602E+05 1696 0.105E+03
DAV: 2 -0.136663533747E+03 -0.22366E+04 -0.21473E+04 2144 0.262E+02
DAV: 3 -0.464250967923E+03 -0.32759E+03 -0.32348E+03 1888 0.108E+02
DAV: 4 -0.477025712703E+03 -0.12775E+02 -0.12728E+02 1976 0.227E+01
DAV: 5 -0.477485917158E+03 -0.46020E+00 -0.45998E+00 2112 0.375E+00 0.434E+01
DAV: 6 -0.449073276194E+03 0.28413E+02 -0.14694E+02 2016 0.317E+01 0.410E+01
DAV: 7 -0.454211498952E+03 -0.51382E+01 -0.18884E+02 1816 0.154E+01 0.219E+01
DAV: 8 -0.447824346957E+03 0.63872E+01 -0.99478E+00 1864 0.930E+00 0.136E+01
DAV: 9 -0.445168768955E+03 0.26556E+01 -0.18050E+01 2096 0.125E+01 0.119E+01
DAV: 10 -0.444416905906E+03 0.75186E+00 -0.42349E+00 1896 0.380E+00 0.110E+01
DAV: 11 -0.443820436798E+03 0.59647E+00 -0.40689E-01 2072 0.199E+00 0.997E+00
DAV: 12 -0.444576232237E+03 -0.75580E+00 -0.19596E+01 2208 0.417E+00 0.936E+00
DAV: 13 -0.443195268192E+03 0.13810E+01 -0.70963E-01 2000 0.341E+00 0.294E+00
DAV: 14 -0.443208120190E+03 -0.12852E-01 -0.55630E-01 1840 0.967E-01 0.291E+00
DAV: 15 -0.443585438889E+03 -0.37732E+00 -0.45379E+00 1968 0.134E+00 0.908E+00
DAV: 16 -0.443186448384E+03 0.39899E+00 -0.19637E-01 1808 0.670E-01 0.669E+00
DAV: 17 -0.443122234574E+03 0.64214E-01 -0.18823E+00 2208 0.867E-01 0.301E+00
DAV: 18 -0.443196024235E+03 -0.73790E-01 -0.65115E-02 1736 0.446E-01 0.559E-01
DAV: 19 -0.443221395534E+03 -0.25371E-01 -0.88059E-02 2056 0.332E-01 0.255E+00
DAV: 20 -0.443195354629E+03 0.26041E-01 -0.13485E-01 2072 0.313E-01 0.116E+00
DAV: 21 -0.443211300129E+03 -0.15945E-01 -0.58091E-03 1816 0.168E-01 0.103E+00
DAV: 22 -0.443208146182E+03 0.31539E-02 -0.41185E-03 1864 0.103E-01 0.383E-01
DAV: 23 -0.443216333240E+03 -0.81871E-02 -0.93481E-03 2096 0.114E-01 0.734E-01
DAV: 24 -0.443215779701E+03 0.55354E-03 -0.76799E-04 1840 0.683E-02 0.597E-01
DAV: 25 -0.443215281133E+03 0.49857E-03 -0.61045E-04 2032 0.388E-02 0.371E-01
DAV: 26 -0.443216959328E+03 -0.16782E-02 -0.31114E-04 1752 0.255E-02 0.217E-01
DAV: 27 -0.443218485742E+03 -0.15264E-02 -0.59263E-04 1832 0.269E-02 0.671E-02
DAV: 28 -0.443219222743E+03 -0.73700E-03 -0.65207E-05 1512 0.190E-02 0.201E-02
DAV: 29 -0.443219384182E+03 -0.16144E-03 -0.18816E-05 1312 0.848E-03 0.333E-02
DAV: 30 -0.443219441875E+03 -0.57693E-04 -0.12839E-05 1280 0.710E-03 0.455E-02
DAV: 31 -0.443219445577E+03 -0.37023E-05 -0.16872E-05 928 0.800E-03
1 F= -.44321945E+03 E0= -.44320500E+03 d E =-.433387E-01