iterations/neb0_image07_iter51_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 0.144606392172E+04 0.14461E+04 -0.44230E+04 330 0.697E+02
DAV: 2 0.231265241072E+03 -0.12148E+04 -0.11388E+04 417 0.163E+02
DAV: 3 -0.367244544618E+03 -0.59851E+03 -0.59498E+03 363 0.116E+02
DAV: 4 -0.432181576859E+03 -0.64937E+02 -0.64716E+02 309 0.476E+01
DAV: 5 -0.433596926755E+03 -0.14153E+01 -0.14127E+01 327 0.733E+00 0.426E+01
DAV: 6 -0.387902820910E+03 0.45694E+02 -0.14956E+02 309 0.287E+01 0.208E+01
DAV: 7 -0.384499491634E+03 0.34033E+01 -0.13019E+01 345 0.774E+00 0.104E+01
DAV: 8 -0.383034778424E+03 0.14647E+01 -0.22202E+00 327 0.389E+00 0.432E+00
DAV: 9 -0.382464940000E+03 0.56984E+00 -0.63837E-01 336 0.201E+00 0.105E+00
DAV: 10 -0.382422326257E+03 0.42614E-01 -0.39878E-01 345 0.105E+00 0.104E+00
DAV: 11 -0.382394179906E+03 0.28146E-01 -0.16773E-01 336 0.544E-01 0.867E-01
DAV: 12 -0.382382297997E+03 0.11882E-01 -0.11236E-01 381 0.422E-01 0.564E-01
DAV: 13 -0.382358333856E+03 0.23964E-01 -0.21576E-02 318 0.432E-01 0.400E-01
DAV: 14 -0.382353101960E+03 0.52319E-02 -0.10695E-02 345 0.301E-01 0.258E-01
DAV: 15 -0.382350512737E+03 0.25892E-02 -0.77173E-03 300 0.316E-01 0.156E-01
DAV: 16 -0.382361074535E+03 -0.10562E-01 -0.81669E-03 309 0.283E-01 0.193E-01
DAV: 17 -0.382367358543E+03 -0.62840E-02 -0.41671E-03 318 0.203E-01 0.132E-01
DAV: 18 -0.382377799216E+03 -0.10441E-01 -0.29611E-03 309 0.146E-01 0.101E-01
DAV: 19 -0.382384315769E+03 -0.65166E-02 -0.81234E-04 345 0.737E-02 0.649E-02
DAV: 20 -0.382390092830E+03 -0.57771E-02 -0.34665E-04 336 0.480E-02 0.314E-02
DAV: 21 -0.382397285316E+03 -0.71925E-02 -0.38815E-04 300 0.419E-02 0.189E-02
DAV: 22 -0.382399801412E+03 -0.25161E-02 -0.94416E-05 309 0.223E-02 0.207E-02
DAV: 23 -0.382402822823E+03 -0.30214E-02 -0.17497E-04 273 0.256E-02 0.114E-02
DAV: 24 -0.382403688829E+03 -0.86601E-03 -0.30339E-05 264 0.119E-02 0.809E-03
DAV: 25 -0.382404164697E+03 -0.47587E-03 -0.21871E-05 255 0.121E-02 0.422E-03
DAV: 26 -0.382404455460E+03 -0.29076E-03 -0.73317E-06 219 0.718E-03 0.370E-03
DAV: 27 -0.382404620830E+03 -0.16537E-03 -0.64217E-06 219 0.625E-03 0.358E-03
DAV: 28 -0.382404755484E+03 -0.13465E-03 -0.39850E-06 201 0.421E-03 0.212E-03
DAV: 29 -0.382404812252E+03 -0.56768E-04 -0.27521E-06 210 0.388E-03 0.145E-03
DAV: 30 -0.382404842882E+03 -0.30630E-04 -0.12954E-06 210 0.250E-03 0.793E-04
DAV: 31 -0.382404853755E+03 -0.10873E-04 -0.65670E-07 228 0.172E-03 0.633E-04
DAV: 32 -0.382404860844E+03 -0.70891E-05 -0.27763E-07 210 0.111E-03
1 F= -.38240486E+03 E0= -.38242267E+03 d E =0.534375E-01