iterations/neb0_image07_iter56_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 0.144911201285E+04 0.14491E+04 -0.44243E+04 330 0.697E+02
DAV: 2 0.232459645246E+03 -0.12167E+04 -0.11402E+04 417 0.163E+02
DAV: 3 -0.363557687448E+03 -0.59602E+03 -0.59245E+03 354 0.114E+02
DAV: 4 -0.431498992466E+03 -0.67941E+02 -0.67697E+02 300 0.494E+01
DAV: 5 -0.433014879785E+03 -0.15159E+01 -0.15130E+01 336 0.767E+00 0.428E+01
DAV: 6 -0.386938733746E+03 0.46076E+02 -0.14979E+02 309 0.288E+01 0.210E+01
DAV: 7 -0.383503643567E+03 0.34351E+01 -0.13214E+01 336 0.784E+00 0.104E+01
DAV: 8 -0.382059420888E+03 0.14442E+01 -0.19686E+00 345 0.382E+00 0.436E+00
DAV: 9 -0.381497148700E+03 0.56227E+00 -0.97113E-01 345 0.220E+00 0.132E+00
DAV: 10 -0.381445865680E+03 0.51283E-01 -0.46450E-01 345 0.110E+00 0.783E-01
DAV: 11 -0.381417342905E+03 0.28523E-01 -0.64342E-02 327 0.534E-01 0.603E-01
DAV: 12 -0.381391128126E+03 0.26215E-01 -0.21150E-02 363 0.444E-01 0.420E-01
DAV: 13 -0.381383914719E+03 0.72134E-02 -0.14622E-01 327 0.546E-01 0.797E-01
DAV: 14 -0.381374029943E+03 0.98848E-02 -0.73398E-02 336 0.386E-01 0.241E-01
DAV: 15 -0.381377332963E+03 -0.33030E-02 -0.55108E-03 309 0.230E-01 0.188E-01
DAV: 16 -0.381385038581E+03 -0.77056E-02 -0.57602E-03 354 0.241E-01 0.211E-01
DAV: 17 -0.381393132033E+03 -0.80935E-02 -0.44216E-03 363 0.231E-01 0.205E-01
DAV: 18 -0.381396647943E+03 -0.35159E-02 -0.16697E-03 318 0.115E-01 0.152E-01
DAV: 19 -0.381401894317E+03 -0.52464E-02 -0.13344E-03 300 0.897E-02 0.698E-02
DAV: 20 -0.381408645436E+03 -0.67511E-02 -0.66944E-04 309 0.824E-02 0.436E-02
DAV: 21 -0.381417137484E+03 -0.84920E-02 -0.67435E-04 318 0.781E-02 0.290E-02
DAV: 22 -0.381420110034E+03 -0.29725E-02 -0.20559E-04 336 0.368E-02 0.378E-02
DAV: 23 -0.381421697742E+03 -0.15877E-02 -0.46211E-05 300 0.192E-02 0.268E-02
DAV: 24 -0.381424742054E+03 -0.30443E-02 -0.18969E-04 282 0.323E-02 0.177E-02
DAV: 25 -0.381425797942E+03 -0.10559E-02 -0.50026E-05 309 0.164E-02 0.104E-02
DAV: 26 -0.381426685440E+03 -0.88750E-03 -0.50091E-05 291 0.124E-02 0.496E-03
DAV: 27 -0.381426869750E+03 -0.18431E-03 -0.38982E-06 237 0.521E-03 0.457E-03
DAV: 28 -0.381427158072E+03 -0.28832E-03 -0.93725E-06 210 0.570E-03 0.463E-03
DAV: 29 -0.381427223413E+03 -0.65341E-04 -0.23479E-06 228 0.334E-03 0.175E-03
DAV: 30 -0.381427270449E+03 -0.47036E-04 -0.15231E-06 219 0.292E-03 0.119E-03
DAV: 31 -0.381427303782E+03 -0.33333E-04 -0.11196E-06 201 0.199E-03 0.103E-03
DAV: 32 -0.381427321130E+03 -0.17348E-04 -0.61253E-07 228 0.157E-03 0.884E-04
DAV: 33 -0.381427333163E+03 -0.12032E-04 -0.53201E-07 210 0.137E-03 0.544E-04
DAV: 34 -0.381427334253E+03 -0.10903E-05 -0.15690E-07 237 0.792E-04
1 F= -.38142733E+03 E0= -.38144331E+03 d E =0.479263E-01