iterations/neb0_image04_iter72_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 0.144662452603E+04 0.14466E+04 -0.44175E+04 330 0.697E+02
DAV: 2 0.228396616563E+03 -0.12182E+04 -0.11432E+04 426 0.163E+02
DAV: 3 -0.360404508518E+03 -0.58880E+03 -0.58549E+03 345 0.114E+02
DAV: 4 -0.432572721777E+03 -0.72168E+02 -0.71909E+02 309 0.512E+01
DAV: 5 -0.434208039292E+03 -0.16353E+01 -0.16323E+01 327 0.795E+00 0.424E+01
DAV: 6 -0.388694911933E+03 0.45513E+02 -0.14676E+02 309 0.286E+01 0.207E+01
DAV: 7 -0.385282805085E+03 0.34121E+01 -0.13161E+01 336 0.779E+00 0.104E+01
DAV: 8 -0.383818972626E+03 0.14638E+01 -0.18937E+00 336 0.383E+00 0.429E+00
DAV: 9 -0.383292620401E+03 0.52635E+00 -0.15482E+00 327 0.239E+00 0.142E+00
DAV: 10 -0.383227912609E+03 0.64708E-01 -0.40215E-01 336 0.117E+00 0.117E+00
DAV: 11 -0.383192322360E+03 0.35590E-01 -0.22914E-01 372 0.743E-01 0.714E-01
DAV: 12 -0.383170727736E+03 0.21595E-01 -0.46350E-02 318 0.506E-01 0.725E-01
DAV: 13 -0.383160323813E+03 0.10404E-01 -0.16246E-01 390 0.553E-01 0.684E-01
DAV: 14 -0.383144773554E+03 0.15550E-01 -0.65976E-02 309 0.469E-01 0.455E-01
DAV: 15 -0.383143447255E+03 0.13263E-02 -0.43578E-02 318 0.387E-01 0.336E-01
DAV: 16 -0.383148154670E+03 -0.47074E-02 -0.58237E-03 309 0.259E-01 0.195E-01
DAV: 17 -0.383158492663E+03 -0.10338E-01 -0.51765E-03 291 0.197E-01 0.928E-02
DAV: 18 -0.383169920748E+03 -0.11428E-01 -0.33381E-03 300 0.162E-01 0.547E-02
DAV: 19 -0.383179563723E+03 -0.96430E-02 -0.14539E-03 318 0.107E-01 0.632E-02
DAV: 20 -0.383184737488E+03 -0.51738E-02 -0.25259E-04 318 0.383E-02 0.523E-02
DAV: 21 -0.383190216443E+03 -0.54790E-02 -0.31914E-04 309 0.422E-02 0.183E-02
DAV: 22 -0.383193520305E+03 -0.33039E-02 -0.20269E-04 336 0.317E-02 0.250E-02
DAV: 23 -0.383194913290E+03 -0.13930E-02 -0.65811E-05 327 0.206E-02 0.134E-02
DAV: 24 -0.383196069744E+03 -0.11565E-02 -0.61296E-05 291 0.172E-02 0.172E-02
DAV: 25 -0.383196586554E+03 -0.51681E-03 -0.18693E-05 246 0.112E-02 0.783E-03
DAV: 26 -0.383196940946E+03 -0.35439E-03 -0.21087E-05 237 0.115E-02 0.458E-03
DAV: 27 -0.383197061461E+03 -0.12051E-03 -0.32360E-06 237 0.506E-03 0.349E-03
DAV: 28 -0.383197185821E+03 -0.12436E-03 -0.47643E-06 201 0.547E-03 0.200E-03
DAV: 29 -0.383197249780E+03 -0.63959E-04 -0.19992E-06 219 0.336E-03 0.276E-03
DAV: 30 -0.383197292684E+03 -0.42904E-04 -0.15575E-06 210 0.278E-03 0.115E-03
DAV: 31 -0.383197313749E+03 -0.21065E-04 -0.10504E-06 228 0.275E-03 0.104E-03
DAV: 32 -0.383197325217E+03 -0.11468E-04 -0.45768E-07 210 0.143E-03 0.874E-04
DAV: 33 -0.383197333430E+03 -0.82132E-05 -0.34986E-07 219 0.146E-03
1 F= -.38319733E+03 E0= -.38321022E+03 d E =0.386471E-01