iterations/neb0_image03_iter43_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 0.144924787730E+04 0.14492E+04 -0.44201E+04 330 0.697E+02
DAV: 2 0.224541776889E+03 -0.12247E+04 -0.11485E+04 435 0.163E+02
DAV: 3 -0.362654659912E+03 -0.58720E+03 -0.58388E+03 345 0.114E+02
DAV: 4 -0.433475740531E+03 -0.70821E+02 -0.70594E+02 309 0.509E+01
DAV: 5 -0.435068259704E+03 -0.15925E+01 -0.15899E+01 318 0.783E+00 0.426E+01
DAV: 6 -0.389039320006E+03 0.46029E+02 -0.14823E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385558317157E+03 0.34810E+01 -0.12965E+01 345 0.778E+00 0.104E+01
DAV: 8 -0.384116866905E+03 0.14415E+01 -0.21834E+00 327 0.385E+00 0.441E+00
DAV: 9 -0.383579387973E+03 0.53748E+00 -0.19302E+00 345 0.248E+00 0.139E+00
DAV: 10 -0.383498260264E+03 0.81128E-01 -0.36802E-01 327 0.118E+00 0.125E+00
DAV: 11 -0.383474000620E+03 0.24260E-01 -0.31211E-01 345 0.642E-01 0.805E-01
DAV: 12 -0.383442404768E+03 0.31596E-01 -0.45518E-02 318 0.491E-01 0.610E-01
DAV: 13 -0.383432084380E+03 0.10320E-01 -0.58075E-02 372 0.453E-01 0.582E-01
DAV: 14 -0.383420940074E+03 0.11144E-01 -0.15782E-02 372 0.518E-01 0.778E-01
DAV: 15 -0.383417703577E+03 0.32365E-02 -0.54869E-02 336 0.364E-01 0.596E-01
DAV: 16 -0.383414651804E+03 0.30518E-02 -0.34080E-02 300 0.364E-01 0.273E-01
DAV: 17 -0.383419210715E+03 -0.45589E-02 -0.10923E-02 309 0.251E-01 0.288E-01
DAV: 18 -0.383428020551E+03 -0.88098E-02 -0.32094E-03 309 0.162E-01 0.196E-01
DAV: 19 -0.383436006392E+03 -0.79858E-02 -0.13510E-03 300 0.131E-01 0.799E-02
DAV: 20 -0.383444946304E+03 -0.89399E-02 -0.16560E-03 327 0.129E-01 0.815E-02
DAV: 21 -0.383451944105E+03 -0.69978E-02 -0.84353E-04 327 0.887E-02 0.587E-02
DAV: 22 -0.383456307676E+03 -0.43636E-02 -0.18652E-04 354 0.421E-02 0.780E-02
DAV: 23 -0.383461899526E+03 -0.55918E-02 -0.40363E-04 300 0.442E-02 0.298E-02
DAV: 24 -0.383463046472E+03 -0.11469E-02 -0.69795E-05 318 0.182E-02 0.229E-02
DAV: 25 -0.383463607265E+03 -0.56079E-03 -0.12016E-05 246 0.112E-02 0.121E-02
DAV: 26 -0.383465427475E+03 -0.18202E-02 -0.12027E-04 282 0.187E-02 0.105E-02
DAV: 27 -0.383465724780E+03 -0.29730E-03 -0.76264E-06 237 0.828E-03 0.115E-02
DAV: 28 -0.383466067896E+03 -0.34312E-03 -0.26994E-05 246 0.127E-02 0.728E-03
DAV: 29 -0.383466088901E+03 -0.21005E-04 -0.27837E-06 237 0.586E-03 0.686E-03
DAV: 30 -0.383466142041E+03 -0.53141E-04 -0.40487E-06 201 0.587E-03 0.280E-03
DAV: 31 -0.383466231122E+03 -0.89080E-04 -0.22897E-06 210 0.357E-03 0.131E-03
DAV: 32 -0.383466263311E+03 -0.32189E-04 -0.11620E-06 228 0.219E-03 0.174E-03
DAV: 33 -0.383466282104E+03 -0.18794E-04 -0.55218E-07 201 0.151E-03 0.119E-03
DAV: 34 -0.383466292625E+03 -0.10521E-04 -0.36260E-07 228 0.114E-03 0.806E-04
DAV: 35 -0.383466298829E+03 -0.62037E-05 -0.21532E-07 219 0.958E-04
1 F= -.38346630E+03 E0= -.38348273E+03 d E =0.493027E-01