./iterations/neb0_image08_iter14_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 0.145346065155E+04 0.14535E+04 -0.44261E+04 330 0.697E+02
DAV: 2 0.230585817149E+03 -0.12229E+04 -0.11475E+04 426 0.163E+02
DAV: 3 -0.360339662410E+03 -0.59093E+03 -0.58751E+03 345 0.114E+02
DAV: 4 -0.432722255771E+03 -0.72383E+02 -0.72091E+02 318 0.513E+01
DAV: 5 -0.434362954892E+03 -0.16407E+01 -0.16379E+01 318 0.797E+00 0.427E+01
DAV: 6 -0.388515026336E+03 0.45848E+02 -0.14712E+02 309 0.286E+01 0.209E+01
DAV: 7 -0.385046836455E+03 0.34682E+01 -0.13372E+01 345 0.788E+00 0.104E+01
DAV: 8 -0.383622121574E+03 0.14247E+01 -0.29350E+00 336 0.404E+00 0.440E+00
DAV: 9 -0.383089199429E+03 0.53292E+00 -0.14332E+00 336 0.239E+00 0.133E+00
DAV: 10 -0.382986974553E+03 0.10222E+00 -0.17592E-01 336 0.119E+00 0.102E+00
DAV: 11 -0.382981162906E+03 0.58116E-02 -0.49504E-01 372 0.107E+00 0.896E-01
DAV: 12 -0.382953116675E+03 0.28046E-01 -0.12060E-01 327 0.593E-01 0.909E-01
DAV: 13 -0.382943744621E+03 0.93721E-02 -0.92142E-02 336 0.347E-01 0.684E-01
DAV: 14 -0.382931092299E+03 0.12652E-01 -0.23170E-02 381 0.435E-01 0.466E-01
DAV: 15 -0.382920505228E+03 0.10587E-01 -0.23342E-02 309 0.415E-01 0.312E-01
DAV: 16 -0.382922036959E+03 -0.15317E-02 -0.75521E-03 336 0.271E-01 0.168E-01
DAV: 17 -0.382929987753E+03 -0.79508E-02 -0.68790E-03 309 0.209E-01 0.321E-01
DAV: 18 -0.382936036886E+03 -0.60491E-02 -0.99232E-03 318 0.191E-01 0.118E-01
DAV: 19 -0.382945944392E+03 -0.99075E-02 -0.31422E-03 300 0.170E-01 0.817E-02
DAV: 20 -0.382953121224E+03 -0.71768E-02 -0.15929E-03 327 0.101E-01 0.736E-02
DAV: 21 -0.382959968433E+03 -0.68472E-02 -0.38960E-04 300 0.462E-02 0.479E-02
DAV: 22 -0.382964992326E+03 -0.50239E-02 -0.28298E-04 336 0.421E-02 0.389E-02
DAV: 23 -0.382967992018E+03 -0.29997E-02 -0.26705E-04 309 0.344E-02 0.333E-02
DAV: 24 -0.382969971935E+03 -0.19799E-02 -0.10830E-04 336 0.243E-02 0.246E-02
DAV: 25 -0.382971106771E+03 -0.11348E-02 -0.38618E-05 300 0.141E-02 0.100E-02
DAV: 26 -0.382972171871E+03 -0.10651E-02 -0.55784E-05 264 0.148E-02 0.100E-02
DAV: 27 -0.382972537026E+03 -0.36515E-03 -0.92532E-06 228 0.695E-03 0.647E-03
DAV: 28 -0.382972713718E+03 -0.17669E-03 -0.91719E-06 210 0.583E-03 0.732E-03
DAV: 29 -0.382972825962E+03 -0.11224E-03 -0.57457E-06 219 0.490E-03 0.175E-03
DAV: 30 -0.382972863512E+03 -0.37550E-04 -0.19108E-06 237 0.297E-03 0.305E-03
DAV: 31 -0.382972919281E+03 -0.55769E-04 -0.25123E-06 192 0.298E-03 0.172E-03
DAV: 32 -0.382972935771E+03 -0.16490E-04 -0.89713E-07 219 0.186E-03 0.174E-03
DAV: 33 -0.382972947722E+03 -0.11951E-04 -0.57068E-07 210 0.140E-03 0.805E-04
DAV: 34 -0.382972954240E+03 -0.65187E-05 -0.33506E-07 219 0.106E-03
1 F= -.38297295E+03 E0= -.38298987E+03 d E =0.507620E-01