iterations/neb0_image01_iter35_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 0.208842253936E+04 0.20884E+04 -0.11606E+05 1704 0.105E+03
DAV: 2 -0.141193518976E+03 -0.22296E+04 -0.21421E+04 2144 0.261E+02
DAV: 3 -0.461851113067E+03 -0.32066E+03 -0.31716E+03 1896 0.107E+02
DAV: 4 -0.475200333645E+03 -0.13349E+02 -0.13153E+02 1976 0.226E+01
DAV: 5 -0.475696700059E+03 -0.49637E+00 -0.49487E+00 2088 0.378E+00 0.435E+01
DAV: 6 -0.458718801184E+03 0.16978E+02 -0.24115E+02 2056 0.318E+01 0.411E+01
DAV: 7 -0.449904268936E+03 0.88145E+01 -0.42406E+01 1780 0.138E+01 0.199E+01
DAV: 8 -0.445403653460E+03 0.45006E+01 -0.86272E+00 1816 0.711E+00 0.114E+01
DAV: 9 -0.446561384229E+03 -0.11577E+01 -0.25320E+01 2040 0.800E+00 0.991E+00
DAV: 10 -0.446029772182E+03 0.53161E+00 -0.14208E+00 1824 0.224E+00 0.889E+00
DAV: 11 -0.444828158234E+03 0.12016E+01 -0.20149E+00 2056 0.245E+00 0.547E+00
DAV: 12 -0.445087723698E+03 -0.25957E+00 -0.76976E+00 2024 0.266E+00 0.141E+01
DAV: 13 -0.444456908142E+03 0.63082E+00 -0.61511E+00 1992 0.249E+00 0.378E+00
DAV: 14 -0.444508462044E+03 -0.51554E-01 -0.13630E-01 1888 0.750E-01 0.338E+00
DAV: 15 -0.444394893833E+03 0.11357E+00 -0.17811E-02 2040 0.468E-01 0.155E+00
DAV: 16 -0.444394898956E+03 -0.51231E-05 -0.11472E-02 1920 0.355E-01 0.826E-01
DAV: 17 -0.444405127040E+03 -0.10228E-01 -0.89329E-02 2048 0.334E-01 0.445E-01
DAV: 18 -0.444412351605E+03 -0.72246E-02 -0.35413E-03 1896 0.147E-01 0.253E-01
DAV: 19 -0.444412646455E+03 -0.29485E-03 -0.12619E-03 1864 0.783E-02 0.113E-01
DAV: 20 -0.444413664406E+03 -0.10180E-02 -0.32225E-04 2072 0.509E-02 0.624E-02
DAV: 21 -0.444414643724E+03 -0.97932E-03 -0.17037E-04 1888 0.321E-02 0.641E-02
DAV: 22 -0.444415526960E+03 -0.88324E-03 -0.22486E-04 2024 0.407E-02 0.107E-01
DAV: 23 -0.444415555333E+03 -0.28373E-04 -0.93463E-05 1864 0.275E-02 0.280E-02
DAV: 24 -0.444415893780E+03 -0.33845E-03 -0.26612E-05 1472 0.133E-02 0.164E-02
DAV: 25 -0.444416418617E+03 -0.52484E-03 -0.13178E-04 1824 0.278E-02 0.395E-02
DAV: 26 -0.444416476302E+03 -0.57685E-04 -0.25849E-05 1536 0.184E-02 0.129E-02
DAV: 27 -0.444416541125E+03 -0.64823E-04 -0.31068E-05 1688 0.115E-02 0.103E-02
DAV: 28 -0.444416561309E+03 -0.20184E-04 -0.35570E-06 1016 0.575E-03 0.481E-03
DAV: 29 -0.444416588651E+03 -0.27343E-04 -0.93500E-06 1104 0.810E-03 0.195E-02
DAV: 30 -0.444416596831E+03 -0.81799E-05 -0.16274E-06 992 0.381E-03
1 F= -.44441660E+03 E0= -.44440950E+03 d E =-.212972E-01