iterations/neb0_image06_iter11_OSZICAR.out output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.162162388754E+04 0.16216E+04 -0.42288E+04 306 0.697E+02
DAV: 2 0.301605702454E+03 -0.13200E+04 -0.12414E+04 420 0.168E+02
DAV: 3 -0.357950400692E+03 -0.65956E+03 -0.65511E+03 364 0.123E+02
DAV: 4 -0.433325265702E+03 -0.75375E+02 -0.75100E+02 308 0.529E+01
DAV: 5 -0.435016309904E+03 -0.16910E+01 -0.16886E+01 348 0.811E+00 0.427E+01
DAV: 6 -0.388921615634E+03 0.46095E+02 -0.15069E+02 316 0.286E+01 0.209E+01
DAV: 7 -0.385428196026E+03 0.34934E+01 -0.12737E+01 340 0.774E+00 0.104E+01
DAV: 8 -0.383997952686E+03 0.14302E+01 -0.26703E+00 332 0.393E+00 0.429E+00
DAV: 9 -0.383434018297E+03 0.56393E+00 -0.60930E-01 332 0.194E+00 0.102E+00
DAV: 10 -0.383373359940E+03 0.60658E-01 -0.21652E-01 332 0.108E+00 0.912E-01
DAV: 11 -0.383362438879E+03 0.10921E-01 -0.11386E-01 316 0.502E-01 0.677E-01
DAV: 12 -0.383344006511E+03 0.18432E-01 -0.18168E-02 316 0.350E-01 0.394E-01
DAV: 13 -0.383332902154E+03 0.11104E-01 -0.26153E-02 316 0.422E-01 0.417E-01
DAV: 14 -0.383331790355E+03 0.11118E-02 -0.30718E-02 340 0.320E-01 0.374E-01
DAV: 15 -0.383337461059E+03 -0.56707E-02 -0.26906E-02 316 0.287E-01 0.275E-01
DAV: 16 -0.383341449450E+03 -0.39884E-02 -0.39907E-03 316 0.177E-01 0.121E-01
DAV: 17 -0.383353272697E+03 -0.11823E-01 -0.34751E-03 276 0.125E-01 0.134E-01
DAV: 18 -0.383363753291E+03 -0.10481E-01 -0.27527E-03 300 0.135E-01 0.682E-02
DAV: 19 -0.383372382572E+03 -0.86293E-02 -0.11247E-03 316 0.863E-02 0.547E-02
DAV: 20 -0.383380053277E+03 -0.76707E-02 -0.55995E-04 308 0.493E-02 0.284E-02
DAV: 21 -0.383384265245E+03 -0.42120E-02 -0.22808E-04 308 0.324E-02 0.181E-02
DAV: 22 -0.383386914757E+03 -0.26495E-02 -0.13062E-04 300 0.228E-02 0.109E-02
DAV: 23 -0.383388730695E+03 -0.18159E-02 -0.10299E-04 284 0.184E-02 0.937E-03
DAV: 24 -0.383389196424E+03 -0.46573E-03 -0.19648E-05 244 0.924E-03 0.477E-03
DAV: 25 -0.383389522866E+03 -0.32644E-03 -0.16027E-05 220 0.779E-03 0.371E-03
DAV: 26 -0.383389626727E+03 -0.10386E-03 -0.46244E-06 228 0.523E-03 0.365E-03
DAV: 27 -0.383389715167E+03 -0.88440E-04 -0.36017E-06 212 0.447E-03 0.179E-03
DAV: 28 -0.383389746609E+03 -0.31442E-04 -0.17249E-06 228 0.298E-03 0.130E-03
DAV: 29 -0.383389767894E+03 -0.21285E-04 -0.98834E-07 212 0.244E-03 0.105E-03
DAV: 30 -0.383389781513E+03 -0.13620E-04 -0.79244E-07 220 0.208E-03 0.482E-04
DAV: 31 -0.383389788569E+03 -0.70556E-05 -0.38130E-07 228 0.146E-03
1 F= -.38338979E+03 E0= -.38340336E+03 d E =0.407179E-01