iterations/neb0_image01_iter58_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 0.144759025780E+04 0.14476E+04 -0.44192E+04 330 0.697E+02
DAV: 2 0.224038152821E+03 -0.12236E+04 -0.11465E+04 435 0.163E+02
DAV: 3 -0.363183622420E+03 -0.58722E+03 -0.58377E+03 345 0.114E+02
DAV: 4 -0.433528029457E+03 -0.70344E+02 -0.70072E+02 318 0.508E+01
DAV: 5 -0.435100713280E+03 -0.15727E+01 -0.15702E+01 318 0.779E+00 0.426E+01
DAV: 6 -0.389094222900E+03 0.46006E+02 -0.14831E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385623765874E+03 0.34705E+01 -0.13297E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384155440655E+03 0.14683E+01 -0.22711E+00 336 0.384E+00 0.434E+00
DAV: 9 -0.383606483029E+03 0.54896E+00 -0.15891E+00 327 0.237E+00 0.125E+00
DAV: 10 -0.383528580104E+03 0.77903E-01 -0.15177E-01 327 0.107E+00 0.981E-01
DAV: 11 -0.383507046960E+03 0.21533E-01 -0.31668E-01 327 0.932E-01 0.746E-01
DAV: 12 -0.383481966928E+03 0.25080E-01 -0.52796E-02 327 0.528E-01 0.655E-01
DAV: 13 -0.383477119727E+03 0.48472E-02 -0.69372E-02 336 0.346E-01 0.527E-01
DAV: 14 -0.383460906338E+03 0.16213E-01 -0.12753E-02 309 0.378E-01 0.331E-01
DAV: 15 -0.383457616686E+03 0.32897E-02 -0.17216E-02 336 0.419E-01 0.240E-01
DAV: 16 -0.383464488958E+03 -0.68723E-02 -0.31458E-02 336 0.298E-01 0.379E-01
DAV: 17 -0.383466821442E+03 -0.23325E-02 -0.43658E-03 282 0.133E-01 0.212E-01
DAV: 18 -0.383474146496E+03 -0.73251E-02 -0.63945E-03 291 0.139E-01 0.112E-01
DAV: 19 -0.383484863259E+03 -0.10717E-01 -0.44515E-03 300 0.148E-01 0.114E-01
DAV: 20 -0.383488648871E+03 -0.37856E-02 -0.85496E-04 318 0.812E-02 0.995E-02
DAV: 21 -0.383495669390E+03 -0.70205E-02 -0.43224E-04 327 0.638E-02 0.609E-02
DAV: 22 -0.383501146123E+03 -0.54767E-02 -0.43560E-04 318 0.500E-02 0.321E-02
DAV: 23 -0.383504710810E+03 -0.35647E-02 -0.24991E-04 309 0.347E-02 0.351E-02
DAV: 24 -0.383507012184E+03 -0.23014E-02 -0.11076E-04 291 0.225E-02 0.247E-02
DAV: 25 -0.383509139508E+03 -0.21273E-02 -0.18075E-04 309 0.235E-02 0.242E-02
DAV: 26 -0.383509712048E+03 -0.57254E-03 -0.30709E-05 273 0.130E-02 0.145E-02
DAV: 27 -0.383510253400E+03 -0.54135E-03 -0.19236E-05 255 0.918E-03 0.925E-03
DAV: 28 -0.383510496467E+03 -0.24307E-03 -0.13534E-05 228 0.818E-03 0.352E-03
DAV: 29 -0.383510631217E+03 -0.13475E-03 -0.51610E-06 228 0.483E-03 0.566E-03
DAV: 30 -0.383510697285E+03 -0.66068E-04 -0.28156E-06 219 0.398E-03 0.224E-03
DAV: 31 -0.383510763842E+03 -0.66558E-04 -0.38581E-06 201 0.458E-03 0.347E-03
DAV: 32 -0.383510775833E+03 -0.11991E-04 -0.11714E-06 228 0.276E-03 0.240E-03
DAV: 33 -0.383510783227E+03 -0.73936E-05 -0.91756E-07 219 0.259E-03
1 F= -.38351078E+03 E0= -.38352732E+03 d E =0.496090E-01