iterations/neb0_image08_iter17_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 0.145304306625E+04 0.14530E+04 -0.44262E+04 330 0.697E+02
DAV: 2 0.229984489394E+03 -0.12231E+04 -0.11475E+04 426 0.163E+02
DAV: 3 -0.360580202158E+03 -0.59056E+03 -0.58709E+03 345 0.114E+02
DAV: 4 -0.432805247729E+03 -0.72225E+02 -0.71945E+02 318 0.513E+01
DAV: 5 -0.434448164787E+03 -0.16429E+01 -0.16402E+01 318 0.796E+00 0.427E+01
DAV: 6 -0.388570977137E+03 0.45877E+02 -0.14755E+02 309 0.286E+01 0.209E+01
DAV: 7 -0.385099639851E+03 0.34713E+01 -0.13140E+01 345 0.785E+00 0.104E+01
DAV: 8 -0.383634154183E+03 0.14655E+01 -0.18286E+00 345 0.383E+00 0.429E+00
DAV: 9 -0.383106025980E+03 0.52813E+00 -0.12846E+00 336 0.223E+00 0.110E+00
DAV: 10 -0.383042018976E+03 0.64007E-01 -0.14770E-01 336 0.983E-01 0.889E-01
DAV: 11 -0.383016449431E+03 0.25570E-01 -0.16231E-01 345 0.610E-01 0.977E-01
DAV: 12 -0.382995695564E+03 0.20754E-01 -0.94290E-02 390 0.648E-01 0.105E+00
DAV: 13 -0.382979210044E+03 0.16486E-01 -0.26745E-01 363 0.556E-01 0.555E-01
DAV: 14 -0.382964938010E+03 0.14272E-01 -0.35165E-02 309 0.417E-01 0.290E-01
DAV: 15 -0.382963523399E+03 0.14146E-02 -0.11753E-02 318 0.340E-01 0.218E-01
DAV: 16 -0.382970612984E+03 -0.70896E-02 -0.95586E-03 318 0.291E-01 0.268E-01
DAV: 17 -0.382972080234E+03 -0.14672E-02 -0.41097E-03 336 0.143E-01 0.249E-01
DAV: 18 -0.382983335516E+03 -0.11255E-01 -0.14107E-02 291 0.215E-01 0.224E-01
DAV: 19 -0.382988644535E+03 -0.53090E-02 -0.19949E-03 318 0.134E-01 0.170E-01
DAV: 20 -0.382995622132E+03 -0.69776E-02 -0.15858E-03 300 0.975E-02 0.624E-02
DAV: 21 -0.383003433917E+03 -0.78118E-02 -0.68373E-04 318 0.709E-02 0.365E-02
DAV: 22 -0.383007587370E+03 -0.41535E-02 -0.29926E-04 327 0.415E-02 0.267E-02
DAV: 23 -0.383009880290E+03 -0.22929E-02 -0.75985E-05 309 0.186E-02 0.188E-02
DAV: 24 -0.383013030193E+03 -0.31499E-02 -0.18178E-04 291 0.239E-02 0.185E-02
DAV: 25 -0.383013995519E+03 -0.96533E-03 -0.44601E-05 282 0.126E-02 0.119E-02
DAV: 26 -0.383014636292E+03 -0.64077E-03 -0.31113E-05 264 0.112E-02 0.799E-03
DAV: 27 -0.383014987658E+03 -0.35137E-03 -0.13107E-05 228 0.798E-03 0.696E-03
DAV: 28 -0.383015198151E+03 -0.21049E-03 -0.92067E-06 210 0.582E-03 0.428E-03
DAV: 29 -0.383015306885E+03 -0.10873E-03 -0.49462E-06 228 0.499E-03 0.427E-03
DAV: 30 -0.383015349878E+03 -0.42993E-04 -0.23304E-06 210 0.338E-03 0.169E-03
DAV: 31 -0.383015393209E+03 -0.43331E-04 -0.17259E-06 201 0.241E-03 0.218E-03
DAV: 32 -0.383015414896E+03 -0.21686E-04 -0.87774E-07 228 0.182E-03 0.118E-03
DAV: 33 -0.383015424619E+03 -0.97237E-05 -0.47349E-07 210 0.125E-03
1 F= -.38301542E+03 E0= -.38303236E+03 d E =0.508027E-01