iterations/neb0_image02_iter33_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 0.144778758750E+04 0.14478E+04 -0.44192E+04 330 0.697E+02
DAV: 2 0.224325221440E+03 -0.12235E+04 -0.11468E+04 435 0.163E+02
DAV: 3 -0.362863372915E+03 -0.58719E+03 -0.58405E+03 345 0.114E+02
DAV: 4 -0.433430108247E+03 -0.70567E+02 -0.70330E+02 309 0.508E+01
DAV: 5 -0.435014019649E+03 -0.15839E+01 -0.15813E+01 318 0.781E+00 0.426E+01
DAV: 6 -0.389077909220E+03 0.45936E+02 -0.14798E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385609732871E+03 0.34682E+01 -0.13297E+01 345 0.777E+00 0.104E+01
DAV: 8 -0.384135179856E+03 0.14746E+01 -0.20388E+00 327 0.379E+00 0.429E+00
DAV: 9 -0.383588628509E+03 0.54655E+00 -0.13441E+00 336 0.231E+00 0.128E+00
DAV: 10 -0.383536546377E+03 0.52082E-01 -0.41347E-01 318 0.113E+00 0.987E-01
DAV: 11 -0.383497766770E+03 0.38780E-01 -0.97094E-02 336 0.636E-01 0.742E-01
DAV: 12 -0.383488204452E+03 0.95623E-02 -0.94612E-02 345 0.704E-01 0.975E-01
DAV: 13 -0.383466490923E+03 0.21714E-01 -0.14364E-01 354 0.513E-01 0.618E-01
DAV: 14 -0.383455801433E+03 0.10689E-01 -0.47633E-02 318 0.383E-01 0.304E-01
DAV: 15 -0.383453650189E+03 0.21512E-02 -0.13799E-02 318 0.376E-01 0.271E-01
DAV: 16 -0.383458913789E+03 -0.52636E-02 -0.80908E-03 327 0.265E-01 0.286E-01
DAV: 17 -0.383463282162E+03 -0.43684E-02 -0.29856E-03 291 0.176E-01 0.176E-01
DAV: 18 -0.383475557525E+03 -0.12275E-01 -0.90487E-03 327 0.239E-01 0.289E-01
DAV: 19 -0.383475061358E+03 0.49617E-03 -0.15616E-03 327 0.110E-01 0.151E-01
DAV: 20 -0.383481926360E+03 -0.68650E-02 -0.15780E-03 282 0.102E-01 0.121E-01
DAV: 21 -0.383488407765E+03 -0.64814E-02 -0.12945E-03 327 0.105E-01 0.112E-01
DAV: 22 -0.383492287042E+03 -0.38793E-02 -0.41940E-04 318 0.548E-02 0.494E-02
DAV: 23 -0.383497521729E+03 -0.52347E-02 -0.35146E-04 318 0.534E-02 0.493E-02
DAV: 24 -0.383500831066E+03 -0.33093E-02 -0.29759E-04 309 0.333E-02 0.570E-02
DAV: 25 -0.383502346589E+03 -0.15155E-02 -0.14529E-04 354 0.343E-02 0.196E-02
DAV: 26 -0.383503813550E+03 -0.14670E-02 -0.75820E-05 309 0.194E-02 0.143E-02
DAV: 27 -0.383504328480E+03 -0.51493E-03 -0.30680E-05 246 0.103E-02 0.166E-02
DAV: 28 -0.383504827114E+03 -0.49863E-03 -0.22612E-05 246 0.105E-02 0.799E-03
DAV: 29 -0.383505240453E+03 -0.41334E-03 -0.22822E-05 255 0.896E-03 0.382E-03
DAV: 30 -0.383505293863E+03 -0.53410E-04 -0.20196E-06 237 0.358E-03 0.290E-03
DAV: 31 -0.383505352136E+03 -0.58273E-04 -0.11875E-06 210 0.219E-03 0.194E-03
DAV: 32 -0.383505426975E+03 -0.74839E-04 -0.23562E-06 210 0.274E-03 0.193E-03
DAV: 33 -0.383505446686E+03 -0.19711E-04 -0.84273E-07 228 0.184E-03 0.154E-03
DAV: 34 -0.383505459757E+03 -0.13070E-04 -0.58107E-07 201 0.149E-03 0.671E-04
DAV: 35 -0.383505463976E+03 -0.42190E-05 -0.27543E-07 228 0.114E-03
1 F= -.38350546E+03 E0= -.38352218E+03 d E =0.501407E-01