iterations/neb0_image02_iter26_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 0.161787749476E+04 0.16179E+04 -0.42272E+04 306 0.697E+02
DAV: 2 0.296726131863E+03 -0.13212E+04 -0.12438E+04 420 0.168E+02
DAV: 3 -0.358017435011E+03 -0.65474E+03 -0.65104E+03 364 0.123E+02
DAV: 4 -0.433480699401E+03 -0.75463E+02 -0.75149E+02 316 0.520E+01
DAV: 5 -0.435192635652E+03 -0.17119E+01 -0.17092E+01 332 0.798E+00 0.427E+01
DAV: 6 -0.389125880212E+03 0.46067E+02 -0.15035E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385607824126E+03 0.35181E+01 -0.12448E+01 340 0.768E+00 0.104E+01
DAV: 8 -0.384160829256E+03 0.14470E+01 -0.24398E+00 332 0.381E+00 0.431E+00
DAV: 9 -0.383610603468E+03 0.55023E+00 -0.10494E+00 324 0.206E+00 0.111E+00
DAV: 10 -0.383533791298E+03 0.76812E-01 -0.13243E-01 332 0.948E-01 0.762E-01
DAV: 11 -0.383509148521E+03 0.24643E-01 -0.37393E-02 332 0.495E-01 0.538E-01
DAV: 12 -0.383502641284E+03 0.65072E-02 -0.13338E-01 324 0.442E-01 0.948E-01
DAV: 13 -0.383486114518E+03 0.16527E-01 -0.24611E-01 340 0.450E-01 0.483E-01
DAV: 14 -0.383486766593E+03 -0.65208E-03 -0.13855E-02 308 0.297E-01 0.395E-01
DAV: 15 -0.383490418753E+03 -0.36522E-02 -0.89398E-03 316 0.264E-01 0.279E-01
DAV: 16 -0.383497113031E+03 -0.66943E-02 -0.14245E-02 364 0.197E-01 0.211E-01
DAV: 17 -0.383503776249E+03 -0.66632E-02 -0.69991E-03 276 0.120E-01 0.986E-02
DAV: 18 -0.383514896632E+03 -0.11120E-01 -0.29050E-03 300 0.114E-01 0.139E-01
DAV: 19 -0.383520862265E+03 -0.59656E-02 -0.20838E-03 332 0.817E-02 0.115E-01
DAV: 20 -0.383525716208E+03 -0.48539E-02 -0.55488E-04 308 0.693E-02 0.595E-02
DAV: 21 -0.383532592648E+03 -0.68764E-02 -0.82627E-04 332 0.654E-02 0.396E-02
DAV: 22 -0.383536011819E+03 -0.34192E-02 -0.16532E-04 324 0.315E-02 0.283E-02
DAV: 23 -0.383538423814E+03 -0.24120E-02 -0.15559E-04 324 0.298E-02 0.188E-02
DAV: 24 -0.383541875015E+03 -0.34512E-02 -0.21184E-04 292 0.281E-02 0.112E-02
DAV: 25 -0.383542874100E+03 -0.99908E-03 -0.50396E-05 284 0.128E-02 0.810E-03
DAV: 26 -0.383543325011E+03 -0.45091E-03 -0.13974E-05 228 0.788E-03 0.630E-03
DAV: 27 -0.383543747586E+03 -0.42258E-03 -0.22304E-05 244 0.760E-03 0.601E-03
DAV: 28 -0.383543809509E+03 -0.61922E-04 -0.26030E-06 236 0.379E-03 0.229E-03
DAV: 29 -0.383543905684E+03 -0.96175E-04 -0.34082E-06 204 0.375E-03 0.183E-03
DAV: 30 -0.383543944512E+03 -0.38828E-04 -0.13138E-06 228 0.214E-03 0.149E-03
DAV: 31 -0.383543971105E+03 -0.26593E-04 -0.82737E-07 204 0.211E-03 0.592E-04
DAV: 32 -0.383543988719E+03 -0.17614E-04 -0.88515E-07 220 0.183E-03 0.102E-03
DAV: 33 -0.383543992086E+03 -0.33667E-05 -0.19141E-07 228 0.113E-03
1 F= -.38354399E+03 E0= -.38356123E+03 d E =0.517204E-01