./iterations/neb0_image01_iter21_OSZICAR.out output for 3: 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.144727277447E+04 0.14473E+04 -0.44194E+04 330 0.697E+02
DAV: 2 0.224149746768E+03 -0.12231E+04 -0.11460E+04 435 0.163E+02
DAV: 3 -0.363092595510E+03 -0.58724E+03 -0.58381E+03 345 0.114E+02
DAV: 4 -0.433518291434E+03 -0.70426E+02 -0.70151E+02 318 0.508E+01
DAV: 5 -0.435090289376E+03 -0.15720E+01 -0.15695E+01 318 0.779E+00 0.426E+01
DAV: 6 -0.389102242169E+03 0.45988E+02 -0.14808E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385630239185E+03 0.34720E+01 -0.13572E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384152524853E+03 0.14777E+01 -0.21288E+00 327 0.383E+00 0.433E+00
DAV: 9 -0.383610306428E+03 0.54222E+00 -0.17429E+00 336 0.242E+00 0.137E+00
DAV: 10 -0.383538930616E+03 0.71376E-01 -0.26897E-01 318 0.113E+00 0.104E+00
DAV: 11 -0.383519564325E+03 0.19366E-01 -0.29223E-01 354 0.645E-01 0.992E-01
DAV: 12 -0.383493268551E+03 0.26296E-01 -0.22827E-01 327 0.701E-01 0.932E-01
DAV: 13 -0.383476347970E+03 0.16921E-01 -0.17996E-01 363 0.546E-01 0.664E-01
DAV: 14 -0.383464337576E+03 0.12010E-01 -0.20197E-02 354 0.380E-01 0.321E-01
DAV: 15 -0.383461720572E+03 0.26170E-02 -0.13322E-02 309 0.382E-01 0.185E-01
DAV: 16 -0.383467880974E+03 -0.61604E-02 -0.60501E-03 327 0.245E-01 0.195E-01
DAV: 17 -0.383476139469E+03 -0.82585E-02 -0.28322E-03 300 0.182E-01 0.162E-01
DAV: 18 -0.383482715681E+03 -0.65762E-02 -0.26945E-03 363 0.158E-01 0.126E-01
DAV: 19 -0.383490908070E+03 -0.81924E-02 -0.43310E-03 372 0.159E-01 0.162E-01
DAV: 20 -0.383492435357E+03 -0.15273E-02 -0.16412E-03 318 0.795E-02 0.904E-02
DAV: 21 -0.383497087851E+03 -0.46525E-02 -0.65425E-04 309 0.618E-02 0.995E-02
DAV: 22 -0.383501582651E+03 -0.44948E-02 -0.53411E-04 327 0.530E-02 0.391E-02
DAV: 23 -0.383505870880E+03 -0.42882E-02 -0.27066E-04 318 0.463E-02 0.594E-02
DAV: 24 -0.383508739558E+03 -0.28687E-02 -0.21854E-04 309 0.321E-02 0.283E-02
DAV: 25 -0.383510824249E+03 -0.20847E-02 -0.11123E-04 309 0.225E-02 0.229E-02
DAV: 26 -0.383511982979E+03 -0.11587E-02 -0.60499E-05 309 0.173E-02 0.109E-02
DAV: 27 -0.383512827088E+03 -0.84411E-03 -0.33906E-05 318 0.123E-02 0.120E-02
DAV: 28 -0.383513411200E+03 -0.58411E-03 -0.26824E-05 264 0.991E-03 0.653E-03
DAV: 29 -0.383513621658E+03 -0.21046E-03 -0.90988E-06 237 0.669E-03 0.391E-03
DAV: 30 -0.383513752419E+03 -0.13076E-03 -0.61988E-06 201 0.505E-03 0.326E-03
DAV: 31 -0.383513832826E+03 -0.80407E-04 -0.37798E-06 237 0.326E-03 0.216E-03
DAV: 32 -0.383513855772E+03 -0.22946E-04 -0.10387E-06 228 0.198E-03 0.106E-03
DAV: 33 -0.383513882530E+03 -0.26757E-04 -0.10009E-06 201 0.194E-03 0.106E-03
DAV: 34 -0.383513892788E+03 -0.10259E-04 -0.42620E-07 228 0.131E-03 0.827E-04
DAV: 35 -0.383513899981E+03 -0.71924E-05 -0.36302E-07 201 0.116E-03
1 F= -.38351390E+03 E0= -.38353056E+03 d E =0.499886E-01