iterations/neb0_image07_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 0.150893242866E+04 0.15089E+04 -0.43575E+04 322 0.697E+02
DAV: 2 0.249695404788E+03 -0.12592E+04 -0.11844E+04 428 0.164E+02
DAV: 3 -0.356203313634E+03 -0.60590E+03 -0.60197E+03 348 0.117E+02
DAV: 4 -0.433153849115E+03 -0.76951E+02 -0.76631E+02 316 0.531E+01
DAV: 5 -0.434958609053E+03 -0.18048E+01 -0.18018E+01 332 0.816E+00 0.428E+01
DAV: 6 -0.388796459556E+03 0.46162E+02 -0.14923E+02 324 0.285E+01 0.209E+01
DAV: 7 -0.385268612331E+03 0.35278E+01 -0.13039E+01 340 0.779E+00 0.104E+01
DAV: 8 -0.383835197546E+03 0.14334E+01 -0.22723E+00 324 0.392E+00 0.425E+00
DAV: 9 -0.383278755547E+03 0.55644E+00 -0.61822E-01 332 0.193E+00 0.964E-01
DAV: 10 -0.383221812482E+03 0.56943E-01 -0.13941E-01 348 0.950E-01 0.730E-01
DAV: 11 -0.383201428909E+03 0.20384E-01 -0.24334E-02 356 0.493E-01 0.530E-01
DAV: 12 -0.383190425557E+03 0.11003E-01 -0.32802E-02 308 0.324E-01 0.402E-01
DAV: 13 -0.383184423458E+03 0.60021E-02 -0.58277E-02 308 0.388E-01 0.557E-01
DAV: 14 -0.383181795394E+03 0.26281E-02 -0.29262E-02 316 0.294E-01 0.169E-01
DAV: 15 -0.383187323418E+03 -0.55280E-02 -0.74565E-03 292 0.217E-01 0.168E-01
DAV: 16 -0.383199172464E+03 -0.11849E-01 -0.84823E-03 308 0.171E-01 0.141E-01
DAV: 17 -0.383208885335E+03 -0.97129E-02 -0.45074E-03 284 0.149E-01 0.101E-01
DAV: 18 -0.383217685469E+03 -0.88001E-02 -0.26040E-03 308 0.121E-01 0.659E-02
DAV: 19 -0.383224174750E+03 -0.64893E-02 -0.81985E-04 324 0.715E-02 0.445E-02
DAV: 20 -0.383228739060E+03 -0.45643E-02 -0.31256E-04 348 0.486E-02 0.368E-02
DAV: 21 -0.383230678301E+03 -0.19392E-02 -0.13978E-04 388 0.363E-02 0.392E-02
DAV: 22 -0.383230189369E+03 0.48893E-03 -0.60928E-05 284 0.250E-02 0.363E-02
DAV: 23 -0.383230526419E+03 -0.33705E-03 -0.90122E-05 316 0.215E-02 0.329E-02
DAV: 24 -0.383233167825E+03 -0.26414E-02 -0.28250E-04 364 0.576E-02 0.280E-02
DAV: 25 -0.383234790654E+03 -0.16228E-02 -0.40882E-04 332 0.479E-02 0.235E-02
DAV: 26 -0.383236218643E+03 -0.14280E-02 -0.13487E-04 332 0.401E-02 0.237E-02
DAV: 27 -0.383236960364E+03 -0.74172E-03 -0.11154E-04 332 0.322E-02 0.265E-02
DAV: 28 -0.383238525731E+03 -0.15654E-02 -0.28127E-04 356 0.699E-02 0.321E-02
DAV: 29 -0.383238762811E+03 -0.23708E-03 -0.35192E-04 316 0.463E-02 0.429E-02
DAV: 30 -0.383238751873E+03 0.10939E-04 -0.30607E-04 324 0.704E-02 0.416E-02
DAV: 31 -0.383238895854E+03 -0.14398E-03 -0.36746E-04 348 0.439E-02 0.286E-02
DAV: 32 -0.383239132552E+03 -0.23670E-03 -0.73205E-05 292 0.199E-02 0.217E-02
DAV: 33 -0.383239316525E+03 -0.18397E-03 -0.16003E-04 356 0.486E-02 0.188E-02
DAV: 34 -0.383239393066E+03 -0.76541E-04 -0.12265E-04 316 0.245E-02 0.169E-02
DAV: 35 -0.383239423779E+03 -0.30713E-04 -0.53649E-05 292 0.333E-02 0.250E-02
DAV: 36 -0.383239375125E+03 0.48654E-04 -0.12004E-04 372 0.356E-02 0.336E-02
DAV: 37 -0.383239418452E+03 -0.43327E-04 -0.54579E-05 292 0.174E-02 0.264E-02
DAV: 38 -0.383239423775E+03 -0.53232E-05 -0.40958E-06 244 0.362E-03
1 F= -.38323942E+03 E0= -.38325481E+03 d E =0.461662E-01