iterations/neb0_image01_iter20_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 0.144728643549E+04 0.14473E+04 -0.44194E+04 330 0.697E+02
DAV: 2 0.224152262161E+03 -0.12231E+04 -0.11460E+04 435 0.163E+02
DAV: 3 -0.363094350316E+03 -0.58725E+03 -0.58381E+03 345 0.114E+02
DAV: 4 -0.433519626038E+03 -0.70425E+02 -0.70150E+02 318 0.508E+01
DAV: 5 -0.435091615846E+03 -0.15720E+01 -0.15695E+01 318 0.779E+00 0.426E+01
DAV: 6 -0.389102295771E+03 0.45989E+02 -0.14809E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385630163062E+03 0.34721E+01 -0.13567E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384152541842E+03 0.14776E+01 -0.21302E+00 327 0.383E+00 0.433E+00
DAV: 9 -0.383610252113E+03 0.54229E+00 -0.17397E+00 336 0.242E+00 0.137E+00
DAV: 10 -0.383538712576E+03 0.71540E-01 -0.26596E-01 318 0.113E+00 0.104E+00
DAV: 11 -0.383519521405E+03 0.19191E-01 -0.29191E-01 354 0.644E-01 0.992E-01
DAV: 12 -0.383493471141E+03 0.26050E-01 -0.23025E-01 327 0.702E-01 0.936E-01
DAV: 13 -0.383476340119E+03 0.17131E-01 -0.18079E-01 363 0.547E-01 0.664E-01
DAV: 14 -0.383464337655E+03 0.12002E-01 -0.19756E-02 336 0.379E-01 0.321E-01
DAV: 15 -0.383461748460E+03 0.25892E-02 -0.13847E-02 309 0.387E-01 0.189E-01
DAV: 16 -0.383467623831E+03 -0.58754E-02 -0.59816E-03 327 0.243E-01 0.196E-01
DAV: 17 -0.383475751388E+03 -0.81276E-02 -0.28446E-03 291 0.180E-01 0.161E-01
DAV: 18 -0.383482459463E+03 -0.67081E-02 -0.27199E-03 363 0.160E-01 0.125E-01
DAV: 19 -0.383490594111E+03 -0.81346E-02 -0.44392E-03 372 0.163E-01 0.162E-01
DAV: 20 -0.383492402612E+03 -0.18085E-02 -0.14555E-03 318 0.791E-02 0.930E-02
DAV: 21 -0.383496932886E+03 -0.45303E-02 -0.65890E-04 309 0.607E-02 0.990E-02
DAV: 22 -0.383501501778E+03 -0.45689E-02 -0.54009E-04 327 0.529E-02 0.400E-02
DAV: 23 -0.383505688165E+03 -0.41864E-02 -0.26004E-04 318 0.460E-02 0.591E-02
DAV: 24 -0.383508709426E+03 -0.30213E-02 -0.22774E-04 309 0.323E-02 0.274E-02
DAV: 25 -0.383510817411E+03 -0.21080E-02 -0.10946E-04 309 0.222E-02 0.245E-02
DAV: 26 -0.383511995003E+03 -0.11776E-02 -0.68144E-05 300 0.186E-02 0.109E-02
DAV: 27 -0.383512813980E+03 -0.81898E-03 -0.34490E-05 318 0.125E-02 0.125E-02
DAV: 28 -0.383513406744E+03 -0.59276E-03 -0.26294E-05 264 0.984E-03 0.707E-03
DAV: 29 -0.383513623191E+03 -0.21645E-03 -0.10160E-05 237 0.702E-03 0.370E-03
DAV: 30 -0.383513748102E+03 -0.12491E-03 -0.58747E-06 201 0.491E-03 0.301E-03
DAV: 31 -0.383513831140E+03 -0.83038E-04 -0.31571E-06 219 0.310E-03 0.190E-03
DAV: 32 -0.383513861357E+03 -0.30217E-04 -0.14609E-06 228 0.215E-03 0.108E-03
DAV: 33 -0.383513889445E+03 -0.28088E-04 -0.11541E-06 210 0.205E-03 0.941E-04
DAV: 34 -0.383513900595E+03 -0.11150E-04 -0.59582E-07 228 0.136E-03 0.857E-04
DAV: 35 -0.383513906826E+03 -0.62307E-05 -0.36210E-07 210 0.115E-03
1 F= -.38351391E+03 E0= -.38353057E+03 d E =0.499835E-01