iterations/neb0_image06_iter10_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 0.145165774951E+04 0.14517E+04 -0.44229E+04 330 0.697E+02
DAV: 2 0.227912234575E+03 -0.12237E+04 -0.11476E+04 426 0.163E+02
DAV: 3 -0.365415997541E+03 -0.59333E+03 -0.59002E+03 354 0.114E+02
DAV: 4 -0.433250562375E+03 -0.67835E+02 -0.67582E+02 318 0.490E+01
DAV: 5 -0.434733526707E+03 -0.14830E+01 -0.14805E+01 318 0.757E+00 0.427E+01
DAV: 6 -0.388845142310E+03 0.45888E+02 -0.14849E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385399142645E+03 0.34460E+01 -0.13344E+01 345 0.783E+00 0.104E+01
DAV: 8 -0.383945728727E+03 0.14534E+01 -0.22458E+00 345 0.390E+00 0.432E+00
DAV: 9 -0.383375765908E+03 0.56996E+00 -0.71913E-01 336 0.219E+00 0.108E+00
DAV: 10 -0.383325792973E+03 0.49973E-01 -0.22788E-01 336 0.109E+00 0.860E-01
DAV: 11 -0.383298896807E+03 0.26896E-01 -0.86122E-02 345 0.555E-01 0.715E-01
DAV: 12 -0.383281940242E+03 0.16957E-01 -0.74150E-02 345 0.444E-01 0.660E-01
DAV: 13 -0.383265655046E+03 0.16285E-01 -0.29966E-02 336 0.469E-01 0.641E-01
DAV: 14 -0.383261428001E+03 0.42270E-02 -0.29396E-02 390 0.364E-01 0.493E-01
DAV: 15 -0.383258439144E+03 0.29889E-02 -0.26922E-02 309 0.343E-01 0.479E-01
DAV: 16 -0.383261453336E+03 -0.30142E-02 -0.36157E-02 318 0.321E-01 0.273E-01
DAV: 17 -0.383268229290E+03 -0.67760E-02 -0.54007E-03 300 0.231E-01 0.214E-01
DAV: 18 -0.383276610772E+03 -0.83815E-02 -0.35257E-03 336 0.160E-01 0.132E-01
DAV: 19 -0.383286450589E+03 -0.98398E-02 -0.22197E-03 300 0.142E-01 0.126E-01
DAV: 20 -0.383293550334E+03 -0.70997E-02 -0.99553E-04 327 0.850E-02 0.643E-02
DAV: 21 -0.383299426596E+03 -0.58763E-02 -0.48373E-04 318 0.524E-02 0.263E-02
DAV: 22 -0.383304795061E+03 -0.53685E-02 -0.31558E-04 309 0.348E-02 0.337E-02
DAV: 23 -0.383307123965E+03 -0.23289E-02 -0.87749E-05 309 0.190E-02 0.240E-02
DAV: 24 -0.383309662809E+03 -0.25388E-02 -0.17666E-04 291 0.253E-02 0.766E-03
DAV: 25 -0.383310248071E+03 -0.58526E-03 -0.22646E-05 255 0.104E-02 0.115E-02
DAV: 26 -0.383310641670E+03 -0.39360E-03 -0.18975E-05 219 0.979E-03 0.491E-03
DAV: 27 -0.383310882720E+03 -0.24105E-03 -0.70985E-06 219 0.562E-03 0.487E-03
DAV: 28 -0.383310989906E+03 -0.10719E-03 -0.38118E-06 228 0.442E-03 0.309E-03
DAV: 29 -0.383311075311E+03 -0.85405E-04 -0.30421E-06 201 0.381E-03 0.236E-03
DAV: 30 -0.383311099967E+03 -0.24655E-04 -0.10942E-06 228 0.270E-03 0.200E-03
DAV: 31 -0.383311120474E+03 -0.20507E-04 -0.11208E-06 201 0.262E-03 0.188E-03
DAV: 32 -0.383311133981E+03 -0.13507E-04 -0.61018E-07 219 0.212E-03 0.104E-03
DAV: 33 -0.383311140325E+03 -0.63434E-05 -0.45644E-07 219 0.149E-03
1 F= -.38331114E+03 E0= -.38332779E+03 d E =0.499540E-01