./iterations/neb0_image04_iter8_OSZICAR.out output for 3: 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.144981820305E+04 0.14498E+04 -0.44203E+04 330 0.697E+02
DAV: 2 0.225457631066E+03 -0.12244E+04 -0.11497E+04 435 0.163E+02
DAV: 3 -0.362381962864E+03 -0.58784E+03 -0.58452E+03 345 0.114E+02
DAV: 4 -0.433335634723E+03 -0.70954E+02 -0.70693E+02 318 0.509E+01
DAV: 5 -0.434923628633E+03 -0.15880E+01 -0.15856E+01 318 0.785E+00 0.426E+01
DAV: 6 -0.389022496379E+03 0.45901E+02 -0.14768E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385567080910E+03 0.34554E+01 -0.13444E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384101203209E+03 0.14659E+01 -0.20854E+00 327 0.384E+00 0.432E+00
DAV: 9 -0.383558269033E+03 0.54293E+00 -0.14504E+00 327 0.238E+00 0.135E+00
DAV: 10 -0.383502891918E+03 0.55377E-01 -0.46129E-01 336 0.118E+00 0.100E+00
DAV: 11 -0.383462498080E+03 0.40394E-01 -0.11017E-01 345 0.657E-01 0.759E-01
DAV: 12 -0.383452781254E+03 0.97168E-02 -0.11789E-01 354 0.720E-01 0.930E-01
DAV: 13 -0.383432466400E+03 0.20315E-01 -0.13271E-01 363 0.520E-01 0.630E-01
DAV: 14 -0.383420521175E+03 0.11945E-01 -0.50532E-02 318 0.391E-01 0.341E-01
DAV: 15 -0.383419224848E+03 0.12963E-02 -0.33668E-02 309 0.409E-01 0.426E-01
DAV: 16 -0.383420846456E+03 -0.16216E-02 -0.22393E-02 336 0.270E-01 0.263E-01
DAV: 17 -0.383426476639E+03 -0.56302E-02 -0.27529E-03 282 0.160E-01 0.151E-01
DAV: 18 -0.383438076095E+03 -0.11599E-01 -0.42988E-03 336 0.225E-01 0.169E-01
DAV: 19 -0.383443645843E+03 -0.55697E-02 -0.30042E-03 354 0.163E-01 0.120E-01
DAV: 20 -0.383450022120E+03 -0.63763E-02 -0.21119E-03 363 0.110E-01 0.137E-01
DAV: 21 -0.383450743403E+03 -0.72128E-03 -0.15783E-03 327 0.786E-02 0.777E-02
DAV: 22 -0.383453941415E+03 -0.31980E-02 -0.52377E-04 300 0.486E-02 0.101E-01
DAV: 23 -0.383459668900E+03 -0.57275E-02 -0.92600E-04 291 0.657E-02 0.530E-02
DAV: 24 -0.383462842221E+03 -0.31733E-02 -0.30568E-04 318 0.391E-02 0.414E-02
DAV: 25 -0.383465119394E+03 -0.22772E-02 -0.12084E-04 291 0.249E-02 0.296E-02
DAV: 26 -0.383466411708E+03 -0.12923E-02 -0.10174E-04 327 0.222E-02 0.289E-02
DAV: 27 -0.383467268978E+03 -0.85727E-03 -0.42684E-05 309 0.184E-02 0.145E-02
DAV: 28 -0.383467766870E+03 -0.49789E-03 -0.16744E-05 237 0.985E-03 0.117E-02
DAV: 29 -0.383468055697E+03 -0.28883E-03 -0.13548E-05 255 0.713E-03 0.948E-03
DAV: 30 -0.383468258854E+03 -0.20316E-03 -0.20582E-05 237 0.879E-03 0.877E-03
DAV: 31 -0.383468375613E+03 -0.11676E-03 -0.64650E-06 210 0.545E-03 0.580E-03
DAV: 32 -0.383468423023E+03 -0.47409E-04 -0.26981E-06 237 0.328E-03 0.455E-03
DAV: 33 -0.383468453787E+03 -0.30764E-04 -0.10341E-06 219 0.242E-03 0.198E-03
DAV: 34 -0.383468476840E+03 -0.23053E-04 -0.11296E-06 228 0.232E-03 0.260E-03
DAV: 35 -0.383468491586E+03 -0.14745E-04 -0.53054E-07 219 0.163E-03 0.143E-03
DAV: 36 -0.383468496685E+03 -0.50994E-05 -0.34094E-07 219 0.121E-03
1 F= -.38346850E+03 E0= -.38348524E+03 d E =0.502285E-01