iterations/neb0_image08_iter1_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 0.145226380513E+04 0.14523E+04 -0.44266E+04 330 0.697E+02
DAV: 2 0.235441383895E+03 -0.12168E+04 -0.11431E+04 417 0.163E+02
DAV: 3 -0.358368394763E+03 -0.59381E+03 -0.59045E+03 345 0.114E+02
DAV: 4 -0.431884097241E+03 -0.73516E+02 -0.73226E+02 318 0.518E+01
DAV: 5 -0.433545956003E+03 -0.16619E+01 -0.16592E+01 318 0.803E+00 0.426E+01
DAV: 6 -0.387834031862E+03 0.45712E+02 -0.14650E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.384380403408E+03 0.34536E+01 -0.13388E+01 336 0.792E+00 0.104E+01
DAV: 8 -0.382953081334E+03 0.14273E+01 -0.20522E+00 336 0.394E+00 0.441E+00
DAV: 9 -0.382423737056E+03 0.52934E+00 -0.19630E+00 345 0.253E+00 0.127E+00
DAV: 10 -0.382349252961E+03 0.74484E-01 -0.15092E-01 327 0.108E+00 0.887E-01
DAV: 11 -0.382314354948E+03 0.34898E-01 -0.10203E-01 336 0.716E-01 0.637E-01
DAV: 12 -0.382299068313E+03 0.15287E-01 -0.70610E-02 363 0.523E-01 0.510E-01
DAV: 13 -0.382284632335E+03 0.14436E-01 -0.86753E-03 318 0.341E-01 0.331E-01
DAV: 14 -0.382280741416E+03 0.38909E-02 -0.20364E-02 318 0.413E-01 0.238E-01
DAV: 15 -0.382282877910E+03 -0.21365E-02 -0.84955E-03 318 0.324E-01 0.258E-01
DAV: 16 -0.382288612299E+03 -0.57344E-02 -0.92357E-03 336 0.230E-01 0.216E-01
DAV: 17 -0.382296158750E+03 -0.75465E-02 -0.30232E-03 291 0.168E-01 0.123E-01
DAV: 18 -0.382303646316E+03 -0.74876E-02 -0.19989E-03 318 0.126E-01 0.677E-02
DAV: 19 -0.382313191473E+03 -0.95452E-02 -0.15873E-03 318 0.135E-01 0.473E-02
DAV: 20 -0.382318639819E+03 -0.54483E-02 -0.71801E-04 327 0.733E-02 0.583E-02
DAV: 21 -0.382320775919E+03 -0.21361E-02 -0.11646E-04 309 0.289E-02 0.320E-02
DAV: 22 -0.382327125897E+03 -0.63500E-02 -0.54953E-04 297 0.441E-02 0.184E-02
DAV: 23 -0.382328213644E+03 -0.10877E-02 -0.47624E-05 309 0.153E-02 0.254E-02
DAV: 24 -0.382328853272E+03 -0.63963E-03 -0.18288E-05 246 0.107E-02 0.176E-02
DAV: 25 -0.382329923202E+03 -0.10699E-02 -0.80955E-05 291 0.190E-02 0.104E-02
DAV: 26 -0.382330117201E+03 -0.19400E-03 -0.70074E-06 228 0.843E-03 0.688E-03
DAV: 27 -0.382330375835E+03 -0.25863E-03 -0.11001E-05 219 0.774E-03 0.386E-03
DAV: 28 -0.382330519406E+03 -0.14357E-03 -0.41639E-06 219 0.489E-03 0.379E-03
DAV: 29 -0.382330601983E+03 -0.82577E-04 -0.20551E-06 219 0.297E-03 0.305E-03
DAV: 30 -0.382330656740E+03 -0.54758E-04 -0.21749E-06 219 0.371E-03 0.129E-03
DAV: 31 -0.382330682135E+03 -0.25395E-04 -0.15364E-06 210 0.309E-03 0.206E-03
DAV: 32 -0.382330696249E+03 -0.14114E-04 -0.68184E-07 219 0.191E-03 0.146E-03
DAV: 33 -0.382330700193E+03 -0.39432E-05 -0.49471E-07 228 0.173E-03
1 F= -.38233070E+03 E0= -.38234386E+03 d E =0.394689E-01