iterations/neb0_image07_iter38_OSZICAR.out output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
N E dE d eps ncg rms rms(c)
DAV: 1 0.144336269543E+04 0.14434E+04 -0.44213E+04 330 0.697E+02
DAV: 2 0.236507063298E+03 -0.12069E+04 -0.11321E+04 408 0.163E+02
DAV: 3 -0.364139136353E+03 -0.60065E+03 -0.59686E+03 363 0.115E+02
DAV: 4 -0.431027152435E+03 -0.66888E+02 -0.66626E+02 309 0.480E+01
DAV: 5 -0.432506587847E+03 -0.14794E+01 -0.14768E+01 336 0.746E+00 0.425E+01
DAV: 6 -0.387196195732E+03 0.45310E+02 -0.14911E+02 309 0.286E+01 0.207E+01
DAV: 7 -0.383828490289E+03 0.33677E+01 -0.12576E+01 336 0.774E+00 0.104E+01
DAV: 8 -0.382356908538E+03 0.14716E+01 -0.19001E+00 327 0.385E+00 0.427E+00
DAV: 9 -0.381822419710E+03 0.53449E+00 -0.11729E+00 327 0.206E+00 0.107E+00
DAV: 10 -0.381747801758E+03 0.74618E-01 -0.12475E-01 318 0.981E-01 0.906E-01
DAV: 11 -0.381726789781E+03 0.21012E-01 -0.68780E-02 336 0.636E-01 0.848E-01
DAV: 12 -0.381699859918E+03 0.26930E-01 -0.10333E-01 318 0.430E-01 0.456E-01
DAV: 13 -0.381687183120E+03 0.12677E-01 -0.10371E-01 318 0.551E-01 0.762E-01
DAV: 14 -0.381675971777E+03 0.11211E-01 -0.36520E-02 327 0.362E-01 0.352E-01
DAV: 15 -0.381679606541E+03 -0.36348E-02 -0.79284E-03 327 0.241E-01 0.193E-01
DAV: 16 -0.381686798115E+03 -0.71916E-02 -0.49586E-03 300 0.201E-01 0.206E-01
DAV: 17 -0.381698406119E+03 -0.11608E-01 -0.47058E-03 318 0.215E-01 0.244E-01
DAV: 18 -0.381707044122E+03 -0.86380E-02 -0.46275E-03 327 0.188E-01 0.773E-02
DAV: 19 -0.381712143978E+03 -0.50999E-02 -0.11391E-03 327 0.787E-02 0.850E-02
DAV: 20 -0.381716906171E+03 -0.47622E-02 -0.41850E-04 300 0.521E-02 0.474E-02
DAV: 21 -0.381723794719E+03 -0.68885E-02 -0.60137E-04 327 0.516E-02 0.372E-02
DAV: 22 -0.381726732581E+03 -0.29379E-02 -0.19382E-04 345 0.361E-02 0.260E-02
DAV: 23 -0.381728510243E+03 -0.17777E-02 -0.10644E-04 336 0.263E-02 0.195E-02
DAV: 24 -0.381730761875E+03 -0.22516E-02 -0.12744E-04 309 0.256E-02 0.163E-02
DAV: 25 -0.381731471140E+03 -0.70926E-03 -0.46732E-05 336 0.162E-02 0.182E-02
DAV: 26 -0.381731869259E+03 -0.39812E-03 -0.18553E-05 246 0.122E-02 0.101E-02
DAV: 27 -0.381732013450E+03 -0.14419E-03 -0.11397E-05 237 0.988E-03 0.503E-03
DAV: 28 -0.381732275533E+03 -0.26208E-03 -0.16239E-05 246 0.124E-02 0.376E-03
DAV: 29 -0.381732352707E+03 -0.77173E-04 -0.13456E-05 273 0.928E-03 0.356E-03
DAV: 30 -0.381732390104E+03 -0.37397E-04 -0.29973E-06 210 0.638E-03 0.185E-03
DAV: 31 -0.381732407536E+03 -0.17432E-04 -0.20058E-06 219 0.532E-03 0.146E-03
DAV: 32 -0.381732421157E+03 -0.13621E-04 -0.25231E-06 210 0.450E-03 0.141E-03
DAV: 33 -0.381732425267E+03 -0.41101E-05 -0.12484E-06 228 0.253E-03
1 F= -.38173243E+03 E0= -.38174636E+03 d E =0.417981E-01