iterations/neb0_image04_iter2_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 0.144946281213E+04 0.14495E+04 -0.44199E+04 330 0.697E+02
DAV: 2 0.225397160121E+03 -0.12241E+04 -0.11496E+04 435 0.163E+02
DAV: 3 -0.362268899591E+03 -0.58767E+03 -0.58432E+03 345 0.114E+02
DAV: 4 -0.433257676165E+03 -0.70989E+02 -0.70736E+02 309 0.509E+01
DAV: 5 -0.434854810989E+03 -0.15971E+01 -0.15945E+01 318 0.785E+00 0.426E+01
DAV: 6 -0.389007596688E+03 0.45847E+02 -0.14756E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385563478965E+03 0.34441E+01 -0.13541E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384103467885E+03 0.14600E+01 -0.22483E+00 327 0.386E+00 0.435E+00
DAV: 9 -0.383562307350E+03 0.54116E+00 -0.16525E+00 327 0.244E+00 0.131E+00
DAV: 10 -0.383482746304E+03 0.79561E-01 -0.17104E-01 336 0.113E+00 0.918E-01
DAV: 11 -0.383449362652E+03 0.33384E-01 -0.89369E-02 345 0.752E-01 0.672E-01
DAV: 12 -0.383431940818E+03 0.17422E-01 -0.19786E-02 345 0.524E-01 0.674E-01
DAV: 13 -0.383425172576E+03 0.67682E-02 -0.10468E-01 345 0.367E-01 0.695E-01
DAV: 14 -0.383416968521E+03 0.82041E-02 -0.94054E-02 327 0.474E-01 0.663E-01
DAV: 15 -0.383411217542E+03 0.57510E-02 -0.25048E-02 345 0.384E-01 0.269E-01
DAV: 16 -0.383416174767E+03 -0.49572E-02 -0.69212E-03 309 0.238E-01 0.148E-01
DAV: 17 -0.383427669254E+03 -0.11494E-01 -0.85755E-03 318 0.211E-01 0.272E-01
DAV: 18 -0.383432322897E+03 -0.46536E-02 -0.44939E-03 363 0.161E-01 0.117E-01
DAV: 19 -0.383439853762E+03 -0.75309E-02 -0.36982E-03 318 0.128E-01 0.168E-01
DAV: 20 -0.383441636863E+03 -0.17831E-02 -0.86152E-04 318 0.714E-02 0.876E-02
DAV: 21 -0.383446666855E+03 -0.50300E-02 -0.75626E-04 318 0.667E-02 0.364E-02
DAV: 22 -0.383451730368E+03 -0.50635E-02 -0.28858E-04 309 0.428E-02 0.377E-02
DAV: 23 -0.383457431423E+03 -0.57011E-02 -0.39417E-04 309 0.391E-02 0.323E-02
DAV: 24 -0.383459875572E+03 -0.24441E-02 -0.12958E-04 309 0.259E-02 0.174E-02
DAV: 25 -0.383461485505E+03 -0.16099E-02 -0.99883E-05 300 0.189E-02 0.156E-02
DAV: 26 -0.383462160516E+03 -0.67501E-03 -0.26969E-05 291 0.122E-02 0.121E-02
DAV: 27 -0.383462851239E+03 -0.69072E-03 -0.37892E-05 291 0.120E-02 0.101E-02
DAV: 28 -0.383462972515E+03 -0.12128E-03 -0.46794E-06 237 0.615E-03 0.418E-03
DAV: 29 -0.383463090608E+03 -0.11809E-03 -0.42734E-06 210 0.442E-03 0.570E-03
DAV: 30 -0.383463217234E+03 -0.12663E-03 -0.78567E-06 228 0.501E-03 0.277E-03
DAV: 31 -0.383463255289E+03 -0.38055E-04 -0.17600E-06 228 0.285E-03 0.197E-03
DAV: 32 -0.383463277734E+03 -0.22445E-04 -0.76937E-07 219 0.221E-03 0.857E-04
DAV: 33 -0.383463296264E+03 -0.18530E-04 -0.61166E-07 210 0.148E-03 0.644E-04
DAV: 34 -0.383463303327E+03 -0.70632E-05 -0.28285E-07 228 0.932E-04
1 F= -.38346330E+03 E0= -.38348008E+03 d E =0.503398E-01