iterations/neb0_image04_iter51_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 0.144888380895E+04 0.14489E+04 -0.44206E+04 330 0.697E+02
DAV: 2 0.224027287569E+03 -0.12249E+04 -0.11487E+04 435 0.163E+02
DAV: 3 -0.362945651589E+03 -0.58697E+03 -0.58390E+03 345 0.114E+02
DAV: 4 -0.433354510773E+03 -0.70409E+02 -0.70168E+02 309 0.508E+01
DAV: 5 -0.434948558327E+03 -0.15940E+01 -0.15914E+01 327 0.783E+00 0.426E+01
DAV: 6 -0.389030213084E+03 0.45918E+02 -0.14790E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385566466295E+03 0.34637E+01 -0.13323E+01 345 0.777E+00 0.104E+01
DAV: 8 -0.384083009084E+03 0.14835E+01 -0.18285E+00 327 0.379E+00 0.431E+00
DAV: 9 -0.383563347645E+03 0.51966E+00 -0.14205E+00 336 0.219E+00 0.114E+00
DAV: 10 -0.383491560550E+03 0.71787E-01 -0.18784E-01 327 0.974E-01 0.953E-01
DAV: 11 -0.383468392650E+03 0.23168E-01 -0.12811E-01 336 0.559E-01 0.871E-01
DAV: 12 -0.383448951889E+03 0.19441E-01 -0.10166E-01 354 0.665E-01 0.116E+00
DAV: 13 -0.383424259180E+03 0.24693E-01 -0.26834E-01 336 0.559E-01 0.509E-01
DAV: 14 -0.383414089040E+03 0.10170E-01 -0.23476E-02 318 0.436E-01 0.437E-01
DAV: 15 -0.383412908023E+03 0.11810E-02 -0.11216E-02 318 0.316E-01 0.535E-01
DAV: 16 -0.383413314962E+03 -0.40694E-03 -0.85189E-03 309 0.216E-01 0.252E-01
DAV: 17 -0.383423337362E+03 -0.10022E-01 -0.58398E-03 300 0.209E-01 0.100E-01
DAV: 18 -0.383435394075E+03 -0.12057E-01 -0.35945E-03 309 0.199E-01 0.974E-02
DAV: 19 -0.383444393839E+03 -0.89998E-02 -0.15725E-03 327 0.115E-01 0.121E-01
DAV: 20 -0.383451825826E+03 -0.74320E-02 -0.38715E-04 327 0.472E-02 0.988E-02
DAV: 21 -0.383458238272E+03 -0.64124E-02 -0.10388E-03 345 0.628E-02 0.604E-02
DAV: 22 -0.383460771466E+03 -0.25332E-02 -0.31427E-04 309 0.359E-02 0.406E-02
DAV: 23 -0.383461871781E+03 -0.11003E-02 -0.43245E-05 309 0.170E-02 0.344E-02
DAV: 24 -0.383463357467E+03 -0.14857E-02 -0.63535E-05 300 0.154E-02 0.143E-02
DAV: 25 -0.383465057305E+03 -0.16998E-02 -0.99352E-05 291 0.167E-02 0.942E-03
DAV: 26 -0.383465233978E+03 -0.17667E-03 -0.40532E-06 237 0.504E-03 0.876E-03
DAV: 27 -0.383465582186E+03 -0.34821E-03 -0.10165E-05 210 0.602E-03 0.477E-03
DAV: 28 -0.383465843548E+03 -0.26136E-03 -0.11473E-05 219 0.677E-03 0.524E-03
DAV: 29 -0.383465875428E+03 -0.31879E-04 -0.33959E-06 237 0.539E-03 0.281E-03
DAV: 30 -0.383465926858E+03 -0.51430E-04 -0.18595E-06 201 0.299E-03 0.327E-03
DAV: 31 -0.383465963142E+03 -0.36284E-04 -0.14343E-06 228 0.285E-03 0.152E-03
DAV: 32 -0.383465989828E+03 -0.26686E-04 -0.12901E-06 210 0.214E-03 0.204E-03
DAV: 33 -0.383465998474E+03 -0.86457E-05 -0.37702E-07 228 0.147E-03
1 F= -.38346600E+03 E0= -.38348271E+03 d E =0.501469E-01