iterations/neb0_image02_iter1_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 0.144794536023E+04 0.14479E+04 -0.44192E+04 330 0.697E+02
DAV: 2 0.224428265846E+03 -0.12235E+04 -0.11470E+04 435 0.163E+02
DAV: 3 -0.362826560700E+03 -0.58725E+03 -0.58412E+03 345 0.114E+02
DAV: 4 -0.433445206215E+03 -0.70619E+02 -0.70380E+02 309 0.508E+01
DAV: 5 -0.435029370316E+03 -0.15842E+01 -0.15816E+01 318 0.781E+00 0.426E+01
DAV: 6 -0.389084930184E+03 0.45944E+02 -0.14799E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385622102799E+03 0.34628E+01 -0.13564E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384145010716E+03 0.14771E+01 -0.21019E+00 336 0.383E+00 0.432E+00
DAV: 9 -0.383607152328E+03 0.53786E+00 -0.17135E+00 345 0.243E+00 0.141E+00
DAV: 10 -0.383542877056E+03 0.64275E-01 -0.39247E-01 318 0.117E+00 0.103E+00
DAV: 11 -0.383510686897E+03 0.32190E-01 -0.18074E-01 336 0.654E-01 0.932E-01
DAV: 12 -0.383490392363E+03 0.20295E-01 -0.24001E-01 327 0.722E-01 0.873E-01
DAV: 13 -0.383476280360E+03 0.14112E-01 -0.17062E-01 354 0.543E-01 0.742E-01
DAV: 14 -0.383462286851E+03 0.13994E-01 -0.69620E-02 345 0.387E-01 0.420E-01
DAV: 15 -0.383459962315E+03 0.23245E-02 -0.19470E-02 309 0.398E-01 0.359E-01
DAV: 16 -0.383463629474E+03 -0.36672E-02 -0.17024E-02 336 0.265E-01 0.215E-01
DAV: 17 -0.383470695748E+03 -0.70663E-02 -0.26157E-03 282 0.149E-01 0.162E-01
DAV: 18 -0.383482390960E+03 -0.11695E-01 -0.34758E-03 327 0.179E-01 0.111E-01
DAV: 19 -0.383489767132E+03 -0.73762E-02 -0.20561E-03 354 0.143E-01 0.861E-02
DAV: 20 -0.383492154556E+03 -0.23874E-02 -0.67570E-04 354 0.695E-02 0.946E-02
DAV: 21 -0.383492559233E+03 -0.40468E-03 -0.13856E-04 372 0.341E-02 0.109E-01
DAV: 22 -0.383492186160E+03 0.37307E-03 -0.10267E-04 327 0.462E-02 0.111E-01
DAV: 23 -0.383491573236E+03 0.61292E-03 -0.14581E-03 417 0.145E-01 0.126E-01
DAV: 24 -0.383498679892E+03 -0.71067E-02 -0.96314E-04 282 0.821E-02 0.804E-02
DAV: 25 -0.383501614044E+03 -0.29342E-02 -0.39450E-04 345 0.989E-02 0.601E-02
DAV: 26 -0.383506528081E+03 -0.49140E-02 -0.10442E-03 300 0.561E-02 0.410E-02
DAV: 27 -0.383508899731E+03 -0.23716E-02 -0.13296E-04 354 0.348E-02 0.305E-02
DAV: 28 -0.383510964866E+03 -0.20651E-02 -0.27058E-04 372 0.541E-02 0.300E-02
DAV: 29 -0.383511443071E+03 -0.47820E-03 -0.29727E-04 372 0.454E-02 0.370E-02
DAV: 30 -0.383511347289E+03 0.95783E-04 -0.10202E-04 309 0.247E-02 0.449E-02
DAV: 31 -0.383511508317E+03 -0.16103E-03 -0.28860E-05 273 0.113E-02 0.378E-02
DAV: 32 -0.383511794042E+03 -0.28573E-03 -0.11664E-04 408 0.340E-02 0.335E-02
DAV: 33 -0.383511941906E+03 -0.14786E-03 -0.41373E-04 417 0.603E-02 0.419E-02
DAV: 34 -0.383511970879E+03 -0.28973E-04 -0.16774E-04 327 0.229E-02 0.485E-02
DAV: 35 -0.383511949323E+03 0.21557E-04 -0.21038E-06 228 0.447E-03 0.470E-02
DAV: 36 -0.383511947676E+03 0.16465E-05 -0.10321E-06 219 0.169E-03
1 F= -.38351195E+03 E0= -.38352647E+03 d E =0.435599E-01