iterations/neb0_image02_iter70_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 0.144784395657E+04 0.14478E+04 -0.44193E+04 330 0.697E+02
DAV: 2 0.223985656937E+03 -0.12239E+04 -0.11469E+04 435 0.163E+02
DAV: 3 -0.363062807404E+03 -0.58705E+03 -0.58389E+03 345 0.114E+02
DAV: 4 -0.433487415173E+03 -0.70425E+02 -0.70182E+02 318 0.508E+01
DAV: 5 -0.435060893302E+03 -0.15735E+01 -0.15710E+01 318 0.780E+00 0.426E+01
DAV: 6 -0.389080143791E+03 0.45981E+02 -0.14815E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385612129594E+03 0.34680E+01 -0.13681E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384129268752E+03 0.14829E+01 -0.20693E+00 336 0.385E+00 0.431E+00
DAV: 9 -0.383587777718E+03 0.54149E+00 -0.15241E+00 327 0.238E+00 0.137E+00
DAV: 10 -0.383529137688E+03 0.58640E-01 -0.41132E-01 327 0.115E+00 0.104E+00
DAV: 11 -0.383493305871E+03 0.35832E-01 -0.15671E-01 336 0.652E-01 0.859E-01
DAV: 12 -0.383482794425E+03 0.10511E-01 -0.22800E-01 345 0.730E-01 0.827E-01
DAV: 13 -0.383462572479E+03 0.20222E-01 -0.97267E-02 372 0.505E-01 0.590E-01
DAV: 14 -0.383451060630E+03 0.11512E-01 -0.24505E-02 327 0.351E-01 0.413E-01
DAV: 15 -0.383449317373E+03 0.17433E-02 -0.21722E-02 318 0.447E-01 0.529E-01
DAV: 16 -0.383449191851E+03 0.12552E-03 -0.37994E-02 345 0.299E-01 0.285E-01
DAV: 17 -0.383454752706E+03 -0.55609E-02 -0.34254E-03 282 0.173E-01 0.136E-01
DAV: 18 -0.383466048405E+03 -0.11296E-01 -0.29825E-03 318 0.171E-01 0.112E-01
DAV: 19 -0.383477811340E+03 -0.11763E-01 -0.18608E-03 318 0.140E-01 0.551E-02
DAV: 20 -0.383486972858E+03 -0.91615E-02 -0.11119E-03 309 0.947E-02 0.976E-02
DAV: 21 -0.383490631422E+03 -0.36586E-02 -0.28787E-04 345 0.426E-02 0.327E-02
DAV: 22 -0.383493821353E+03 -0.31899E-02 -0.18719E-04 300 0.318E-02 0.216E-02
DAV: 23 -0.383496775912E+03 -0.29546E-02 -0.13553E-04 300 0.242E-02 0.184E-02
DAV: 24 -0.383498350848E+03 -0.15749E-02 -0.62836E-05 291 0.168E-02 0.164E-02
DAV: 25 -0.383499244063E+03 -0.89322E-03 -0.37420E-05 291 0.131E-02 0.214E-02
DAV: 26 -0.383499716295E+03 -0.47223E-03 -0.22129E-05 255 0.114E-02 0.473E-03
DAV: 27 -0.383499946585E+03 -0.23029E-03 -0.10310E-05 246 0.720E-03 0.899E-03
DAV: 28 -0.383500045565E+03 -0.98980E-04 -0.29366E-06 219 0.517E-03 0.213E-03
DAV: 29 -0.383500108048E+03 -0.62483E-04 -0.27210E-06 219 0.436E-03 0.335E-03
DAV: 30 -0.383500159632E+03 -0.51584E-04 -0.14525E-06 210 0.279E-03 0.183E-03
DAV: 31 -0.383500178741E+03 -0.19109E-04 -0.87424E-07 228 0.255E-03 0.914E-04
DAV: 32 -0.383500197848E+03 -0.19107E-04 -0.85987E-07 201 0.249E-03 0.950E-04
DAV: 33 -0.383500207662E+03 -0.98137E-05 -0.40729E-07 219 0.131E-03
1 F= -.38350021E+03 E0= -.38351287E+03 d E =0.379889E-01