iterations/neb0_image01_iter38_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 0.144724342555E+04 0.14472E+04 -0.44192E+04 330 0.697E+02
DAV: 2 0.227861107306E+03 -0.12194E+04 -0.11423E+04 426 0.163E+02
DAV: 3 -0.362848973785E+03 -0.59071E+03 -0.58732E+03 345 0.114E+02
DAV: 4 -0.433510608389E+03 -0.70662E+02 -0.70392E+02 318 0.512E+01
DAV: 5 -0.435095884000E+03 -0.15853E+01 -0.15829E+01 318 0.783E+00 0.426E+01
DAV: 6 -0.389098497772E+03 0.45997E+02 -0.14804E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385619275535E+03 0.34792E+01 -0.13302E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384147398160E+03 0.14719E+01 -0.21008E+00 327 0.381E+00 0.429E+00
DAV: 9 -0.383589904763E+03 0.55749E+00 -0.12074E+00 336 0.227E+00 0.126E+00
DAV: 10 -0.383541203048E+03 0.48702E-01 -0.47947E-01 318 0.112E+00 0.966E-01
DAV: 11 -0.383501044575E+03 0.40158E-01 -0.61835E-02 345 0.609E-01 0.644E-01
DAV: 12 -0.383487877992E+03 0.13167E-01 -0.49379E-02 354 0.640E-01 0.102E+00
DAV: 13 -0.383466989343E+03 0.20889E-01 -0.42103E-02 354 0.464E-01 0.416E-01
DAV: 14 -0.383463095852E+03 0.38935E-02 -0.71045E-02 309 0.398E-01 0.523E-01
DAV: 15 -0.383463090668E+03 0.51844E-05 -0.67898E-02 354 0.387E-01 0.615E-01
DAV: 16 -0.383461378438E+03 0.17122E-02 -0.13321E-02 318 0.292E-01 0.248E-01
DAV: 17 -0.383471106876E+03 -0.97284E-02 -0.19672E-02 309 0.251E-01 0.318E-01
DAV: 18 -0.383473978211E+03 -0.28713E-02 -0.17979E-03 318 0.118E-01 0.247E-01
DAV: 19 -0.383484282429E+03 -0.10304E-01 -0.18895E-03 282 0.123E-01 0.269E-01
DAV: 20 -0.383488745354E+03 -0.44629E-02 -0.22771E-03 336 0.103E-01 0.804E-02
DAV: 21 -0.383496083595E+03 -0.73382E-02 -0.59401E-04 309 0.805E-02 0.785E-02
DAV: 22 -0.383501982129E+03 -0.58985E-02 -0.37242E-04 318 0.496E-02 0.302E-02
DAV: 23 -0.383506083217E+03 -0.41011E-02 -0.21519E-04 318 0.361E-02 0.285E-02
DAV: 24 -0.383508709261E+03 -0.26260E-02 -0.13957E-04 309 0.253E-02 0.253E-02
DAV: 25 -0.383509977492E+03 -0.12682E-02 -0.52389E-05 300 0.155E-02 0.145E-02
DAV: 26 -0.383511203902E+03 -0.12264E-02 -0.79782E-05 300 0.197E-02 0.957E-03
DAV: 27 -0.383511473720E+03 -0.26982E-03 -0.77313E-06 246 0.770E-03 0.753E-03
DAV: 28 -0.383511749075E+03 -0.27536E-03 -0.14979E-05 237 0.948E-03 0.591E-03
DAV: 29 -0.383511902665E+03 -0.15359E-03 -0.46940E-06 228 0.511E-03 0.503E-03
DAV: 30 -0.383512011306E+03 -0.10864E-03 -0.31022E-06 201 0.380E-03 0.409E-03
DAV: 31 -0.383512068371E+03 -0.57065E-04 -0.26852E-06 219 0.452E-03 0.190E-03
DAV: 32 -0.383512105518E+03 -0.37147E-04 -0.14019E-06 210 0.284E-03 0.144E-03
DAV: 33 -0.383512117879E+03 -0.12361E-04 -0.84091E-07 219 0.238E-03 0.116E-03
DAV: 34 -0.383512126030E+03 -0.81505E-05 -0.38812E-07 228 0.143E-03
1 F= -.38351213E+03 E0= -.38352877E+03 d E =0.499402E-01