iterations/neb0_image06_iter21_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 0.145102274417E+04 0.14510E+04 -0.44224E+04 330 0.697E+02
DAV: 2 0.227574157726E+03 -0.12234E+04 -0.11472E+04 426 0.163E+02
DAV: 3 -0.365408881614E+03 -0.59298E+03 -0.58969E+03 354 0.114E+02
DAV: 4 -0.433205461483E+03 -0.67797E+02 -0.67542E+02 318 0.490E+01
DAV: 5 -0.434689051934E+03 -0.14836E+01 -0.14811E+01 318 0.757E+00 0.427E+01
DAV: 6 -0.388864754089E+03 0.45824E+02 -0.14839E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385426505792E+03 0.34382E+01 -0.13143E+01 345 0.777E+00 0.104E+01
DAV: 8 -0.383951848097E+03 0.14747E+01 -0.18387E+00 336 0.380E+00 0.426E+00
DAV: 9 -0.383411173117E+03 0.54067E+00 -0.94638E-01 336 0.204E+00 0.102E+00
DAV: 10 -0.383354779368E+03 0.56394E-01 -0.20126E-01 327 0.933E-01 0.955E-01
DAV: 11 -0.383331037813E+03 0.23742E-01 -0.13059E-01 327 0.545E-01 0.774E-01
DAV: 12 -0.383319897246E+03 0.11141E-01 -0.11493E-01 381 0.646E-01 0.996E-01
DAV: 13 -0.383290273120E+03 0.29624E-01 -0.10346E-01 354 0.471E-01 0.308E-01
DAV: 14 -0.383281842203E+03 0.84309E-02 -0.20080E-02 309 0.417E-01 0.279E-01
DAV: 15 -0.383284193640E+03 -0.23514E-02 -0.11210E-02 327 0.298E-01 0.155E-01
DAV: 16 -0.383291622964E+03 -0.74293E-02 -0.36828E-03 309 0.189E-01 0.169E-01
DAV: 17 -0.383305454892E+03 -0.13832E-01 -0.88935E-03 300 0.234E-01 0.171E-01
DAV: 18 -0.383310044313E+03 -0.45894E-02 -0.21536E-03 327 0.124E-01 0.844E-02
DAV: 19 -0.383317065863E+03 -0.70215E-02 -0.77266E-04 318 0.800E-02 0.486E-02
DAV: 20 -0.383324997522E+03 -0.79317E-02 -0.50447E-04 327 0.574E-02 0.335E-02
DAV: 21 -0.383329419489E+03 -0.44220E-02 -0.21313E-04 336 0.336E-02 0.285E-02
DAV: 22 -0.383333277357E+03 -0.38579E-02 -0.26453E-04 300 0.346E-02 0.147E-02
DAV: 23 -0.383335416837E+03 -0.21395E-02 -0.11961E-04 318 0.208E-02 0.925E-03
DAV: 24 -0.383336328318E+03 -0.91148E-03 -0.39200E-05 273 0.120E-02 0.840E-03
DAV: 25 -0.383336854898E+03 -0.52658E-03 -0.22623E-05 255 0.837E-03 0.367E-03
DAV: 26 -0.383337041623E+03 -0.18673E-03 -0.48614E-06 228 0.535E-03 0.331E-03
DAV: 27 -0.383337174104E+03 -0.13248E-03 -0.46255E-06 201 0.458E-03 0.167E-03
DAV: 28 -0.383337223219E+03 -0.49114E-04 -0.17718E-06 219 0.317E-03 0.123E-03
DAV: 29 -0.383337260540E+03 -0.37322E-04 -0.19139E-06 201 0.305E-03 0.106E-03
DAV: 30 -0.383337269540E+03 -0.89999E-05 -0.64378E-07 228 0.178E-03
1 F= -.38333727E+03 E0= -.38335070E+03 d E =0.402849E-01