iterations/neb0_image07_iter54_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 0.144733113719E+04 0.14473E+04 -0.44243E+04 330 0.697E+02
DAV: 2 0.232713496679E+03 -0.12146E+04 -0.11386E+04 417 0.163E+02
DAV: 3 -0.365985773385E+03 -0.59870E+03 -0.59505E+03 363 0.114E+02
DAV: 4 -0.432270985126E+03 -0.66285E+02 -0.66041E+02 309 0.477E+01
DAV: 5 -0.433709746868E+03 -0.14388E+01 -0.14360E+01 327 0.740E+00 0.427E+01
DAV: 6 -0.387863020659E+03 0.45847E+02 -0.14985E+02 309 0.287E+01 0.209E+01
DAV: 7 -0.384436733599E+03 0.34263E+01 -0.13286E+01 345 0.778E+00 0.104E+01
DAV: 8 -0.382978748556E+03 0.14580E+01 -0.26710E+00 327 0.395E+00 0.440E+00
DAV: 9 -0.382438462601E+03 0.54029E+00 -0.12070E+00 318 0.236E+00 0.133E+00
DAV: 10 -0.382346335662E+03 0.92127E-01 -0.20885E-01 336 0.119E+00 0.855E-01
DAV: 11 -0.382325825505E+03 0.20510E-01 -0.86344E-02 336 0.677E-01 0.800E-01
DAV: 12 -0.382307557889E+03 0.18268E-01 -0.70518E-02 363 0.446E-01 0.576E-01
DAV: 13 -0.382295643178E+03 0.11915E-01 -0.52126E-02 345 0.515E-01 0.630E-01
DAV: 14 -0.382285184305E+03 0.10459E-01 -0.24836E-02 318 0.414E-01 0.549E-01
DAV: 15 -0.382282993931E+03 0.21904E-02 -0.12847E-02 336 0.242E-01 0.258E-01
DAV: 16 -0.382288512338E+03 -0.55184E-02 -0.12021E-02 300 0.267E-01 0.290E-01
DAV: 17 -0.382292162144E+03 -0.36498E-02 -0.63232E-03 327 0.204E-01 0.214E-01
DAV: 18 -0.382302348982E+03 -0.10187E-01 -0.50290E-03 300 0.199E-01 0.261E-01
DAV: 19 -0.382311458961E+03 -0.91100E-02 -0.33141E-03 327 0.159E-01 0.139E-01
DAV: 20 -0.382317138779E+03 -0.56798E-02 -0.11985E-03 327 0.862E-02 0.740E-02
DAV: 21 -0.382321600562E+03 -0.44618E-02 -0.27254E-04 309 0.424E-02 0.704E-02
DAV: 22 -0.382326769089E+03 -0.51685E-02 -0.27236E-04 318 0.373E-02 0.419E-02
DAV: 23 -0.382331463280E+03 -0.46942E-02 -0.30993E-04 354 0.382E-02 0.242E-02
DAV: 24 -0.382332961547E+03 -0.14983E-02 -0.68449E-05 327 0.186E-02 0.242E-02
DAV: 25 -0.382333724264E+03 -0.76272E-03 -0.16006E-05 219 0.898E-03 0.242E-02
DAV: 26 -0.382335280993E+03 -0.15567E-02 -0.10882E-04 282 0.169E-02 0.123E-02
DAV: 27 -0.382335437078E+03 -0.15608E-03 -0.69970E-06 228 0.724E-03 0.555E-03
DAV: 28 -0.382335631571E+03 -0.19449E-03 -0.63361E-06 219 0.616E-03 0.494E-03
DAV: 29 -0.382335783939E+03 -0.15237E-03 -0.45444E-06 228 0.440E-03 0.727E-03
DAV: 30 -0.382335882179E+03 -0.98240E-04 -0.42618E-06 201 0.432E-03 0.448E-03
DAV: 31 -0.382335902189E+03 -0.20010E-04 -0.17296E-06 228 0.287E-03 0.227E-03
DAV: 32 -0.382335917509E+03 -0.15320E-04 -0.72391E-07 192 0.180E-03 0.189E-03
DAV: 33 -0.382335935268E+03 -0.17759E-04 -0.77212E-07 201 0.207E-03 0.833E-04
DAV: 34 -0.382335942016E+03 -0.67478E-05 -0.30979E-07 228 0.129E-03
1 F= -.38233594E+03 E0= -.38235312E+03 d E =0.515452E-01