./iterations/neb0_image06_iter27_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 0.145019495317E+04 0.14502E+04 -0.44220E+04 330 0.697E+02
DAV: 2 0.227308402973E+03 -0.12229E+04 -0.11466E+04 426 0.163E+02
DAV: 3 -0.365392402918E+03 -0.59270E+03 -0.58941E+03 354 0.114E+02
DAV: 4 -0.433191123661E+03 -0.67799E+02 -0.67544E+02 318 0.490E+01
DAV: 5 -0.434677595756E+03 -0.14865E+01 -0.14840E+01 318 0.757E+00 0.426E+01
DAV: 6 -0.388890256128E+03 0.45787E+02 -0.14828E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385460170435E+03 0.34301E+01 -0.13132E+01 345 0.776E+00 0.104E+01
DAV: 8 -0.383985568223E+03 0.14746E+01 -0.18706E+00 327 0.380E+00 0.432E+00
DAV: 9 -0.383468843893E+03 0.51672E+00 -0.16167E+00 336 0.227E+00 0.116E+00
DAV: 10 -0.383394701338E+03 0.74143E-01 -0.18775E-01 336 0.101E+00 0.938E-01
DAV: 11 -0.383371692871E+03 0.23008E-01 -0.13404E-01 327 0.594E-01 0.794E-01
DAV: 12 -0.383336080787E+03 0.35612E-01 -0.82542E-02 363 0.618E-01 0.667E-01
DAV: 13 -0.383324946352E+03 0.11134E-01 -0.71697E-02 336 0.510E-01 0.494E-01
DAV: 14 -0.383315229472E+03 0.97169E-02 -0.19280E-02 327 0.424E-01 0.469E-01
DAV: 15 -0.383313641872E+03 0.15876E-02 -0.74658E-03 309 0.262E-01 0.437E-01
DAV: 16 -0.383318646433E+03 -0.50046E-02 -0.24559E-02 300 0.272E-01 0.173E-01
DAV: 17 -0.383328286429E+03 -0.96400E-02 -0.50492E-03 300 0.215E-01 0.169E-01
DAV: 18 -0.383333268220E+03 -0.49818E-02 -0.20259E-03 318 0.116E-01 0.864E-02
DAV: 19 -0.383341607626E+03 -0.83394E-02 -0.98751E-04 291 0.824E-02 0.597E-02
DAV: 20 -0.383350969586E+03 -0.93620E-02 -0.10815E-03 318 0.967E-02 0.611E-02
DAV: 21 -0.383355823651E+03 -0.48541E-02 -0.83652E-04 327 0.675E-02 0.449E-02
DAV: 22 -0.383358699957E+03 -0.28763E-02 -0.15328E-04 309 0.299E-02 0.493E-02
DAV: 23 -0.383363124346E+03 -0.44244E-02 -0.39823E-04 309 0.344E-02 0.146E-02
DAV: 24 -0.383364371732E+03 -0.12474E-02 -0.68408E-05 318 0.166E-02 0.134E-02
DAV: 25 -0.383364983338E+03 -0.61161E-03 -0.19491E-05 237 0.880E-03 0.439E-03
DAV: 26 -0.383365562897E+03 -0.57956E-03 -0.27069E-05 273 0.860E-03 0.431E-03
DAV: 27 -0.383365733797E+03 -0.17090E-03 -0.43255E-06 228 0.442E-03 0.259E-03
DAV: 28 -0.383365880390E+03 -0.14659E-03 -0.49990E-06 201 0.396E-03 0.162E-03
DAV: 29 -0.383365918327E+03 -0.37938E-04 -0.13911E-06 237 0.226E-03 0.249E-03
DAV: 30 -0.383365954105E+03 -0.35778E-04 -0.13877E-06 192 0.233E-03 0.788E-04
DAV: 31 -0.383365968023E+03 -0.13918E-04 -0.79390E-07 228 0.164E-03 0.121E-03
DAV: 32 -0.383365975342E+03 -0.73192E-05 -0.31656E-07 219 0.119E-03
1 F= -.38336598E+03 E0= -.38338278E+03 d E =0.503994E-01