iterations/neb0_image02_iter24_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 0.144809627541E+04 0.14481E+04 -0.44193E+04 330 0.697E+02
DAV: 2 0.224467137264E+03 -0.12236E+04 -0.11470E+04 435 0.163E+02
DAV: 3 -0.362866947820E+03 -0.58733E+03 -0.58420E+03 345 0.114E+02
DAV: 4 -0.433470154137E+03 -0.70603E+02 -0.70366E+02 309 0.508E+01
DAV: 5 -0.435054016271E+03 -0.15839E+01 -0.15813E+01 318 0.781E+00 0.426E+01
DAV: 6 -0.389087859478E+03 0.45966E+02 -0.14803E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385621597716E+03 0.34663E+01 -0.13482E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384142355132E+03 0.14792E+01 -0.20474E+00 327 0.382E+00 0.431E+00
DAV: 9 -0.383595287208E+03 0.54707E+00 -0.12757E+00 345 0.232E+00 0.122E+00
DAV: 10 -0.383527083215E+03 0.68204E-01 -0.16611E-01 327 0.106E+00 0.109E+00
DAV: 11 -0.383515511837E+03 0.11571E-01 -0.40639E-01 372 0.699E-01 0.108E+00
DAV: 12 -0.383506174448E+03 0.93374E-02 -0.13199E-01 345 0.774E-01 0.123E+00
DAV: 13 -0.383469358875E+03 0.36816E-01 -0.10422E-01 372 0.572E-01 0.652E-01
DAV: 14 -0.383465504635E+03 0.38542E-02 -0.13739E-02 309 0.280E-01 0.396E-01
DAV: 15 -0.383459240256E+03 0.62644E-02 -0.12375E-02 345 0.319E-01 0.314E-01
DAV: 16 -0.383458733916E+03 0.50634E-03 -0.15960E-02 327 0.365E-01 0.418E-01
DAV: 17 -0.383461806083E+03 -0.30722E-02 -0.47608E-03 327 0.249E-01 0.203E-01
DAV: 18 -0.383470132882E+03 -0.83268E-02 -0.34748E-03 282 0.184E-01 0.172E-01
DAV: 19 -0.383481604877E+03 -0.11472E-01 -0.36487E-03 309 0.151E-01 0.123E-01
DAV: 20 -0.383490177042E+03 -0.85722E-02 -0.13271E-03 336 0.105E-01 0.118E-01
DAV: 21 -0.383495333815E+03 -0.51568E-02 -0.72692E-04 390 0.833E-02 0.785E-02
DAV: 22 -0.383499215675E+03 -0.38819E-02 -0.25954E-04 309 0.419E-02 0.412E-02
DAV: 23 -0.383502647634E+03 -0.34320E-02 -0.14709E-04 309 0.282E-02 0.262E-02
DAV: 24 -0.383506601339E+03 -0.39537E-02 -0.21762E-04 318 0.342E-02 0.306E-02
DAV: 25 -0.383508374805E+03 -0.17735E-02 -0.80945E-05 300 0.207E-02 0.112E-02
DAV: 26 -0.383509220733E+03 -0.84593E-03 -0.44194E-05 291 0.164E-02 0.199E-02
DAV: 27 -0.383509783665E+03 -0.56293E-03 -0.18792E-05 237 0.107E-02 0.975E-03
DAV: 28 -0.383510078976E+03 -0.29531E-03 -0.17650E-05 246 0.963E-03 0.592E-03
DAV: 29 -0.383510203770E+03 -0.12479E-03 -0.33575E-06 228 0.542E-03 0.374E-03
DAV: 30 -0.383510290326E+03 -0.86556E-04 -0.35719E-06 201 0.488E-03 0.199E-03
DAV: 31 -0.383510331557E+03 -0.41231E-04 -0.12087E-06 228 0.271E-03 0.212E-03
DAV: 32 -0.383510367197E+03 -0.35640E-04 -0.14567E-06 183 0.342E-03 0.106E-03
DAV: 33 -0.383510378823E+03 -0.11627E-04 -0.67628E-07 228 0.187E-03 0.149E-03
DAV: 34 -0.383510384998E+03 -0.61748E-05 -0.26293E-07 201 0.122E-03
1 F= -.38351038E+03 E0= -.38352696E+03 d E =0.497240E-01