iterations/neb0_image02_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 0.144843524441E+04 0.14484E+04 -0.44195E+04 330 0.697E+02
DAV: 2 0.224392988484E+03 -0.12240E+04 -0.11471E+04 435 0.163E+02
DAV: 3 -0.362993855792E+03 -0.58739E+03 -0.58424E+03 345 0.114E+02
DAV: 4 -0.433503158295E+03 -0.70509E+02 -0.70280E+02 309 0.508E+01
DAV: 5 -0.435085188805E+03 -0.15820E+01 -0.15794E+01 318 0.781E+00 0.426E+01
DAV: 6 -0.389059555197E+03 0.46026E+02 -0.14821E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385592616928E+03 0.34669E+01 -0.13515E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384118811880E+03 0.14738E+01 -0.21912E+00 327 0.385E+00 0.431E+00
DAV: 9 -0.383551230722E+03 0.56758E+00 -0.68083E-01 336 0.220E+00 0.118E+00
DAV: 10 -0.383500640625E+03 0.50590E-01 -0.31293E-01 336 0.108E+00 0.915E-01
DAV: 11 -0.383467515192E+03 0.33125E-01 -0.76474E-02 327 0.563E-01 0.655E-01
DAV: 12 -0.383450168266E+03 0.17347E-01 -0.19030E-02 336 0.482E-01 0.682E-01
DAV: 13 -0.383432477279E+03 0.17691E-01 -0.10299E-02 318 0.373E-01 0.297E-01
DAV: 14 -0.383428024042E+03 0.44532E-02 -0.18168E-02 318 0.438E-01 0.442E-01
DAV: 15 -0.383428766709E+03 -0.74267E-03 -0.77371E-03 354 0.299E-01 0.187E-01
DAV: 16 -0.383435808458E+03 -0.70417E-02 -0.78475E-03 291 0.182E-01 0.264E-01
DAV: 17 -0.383442773529E+03 -0.69651E-02 -0.10551E-02 309 0.165E-01 0.207E-01
DAV: 18 -0.383453444190E+03 -0.10671E-01 -0.63344E-03 300 0.167E-01 0.133E-01
DAV: 19 -0.383462509662E+03 -0.90655E-02 -0.18702E-03 318 0.112E-01 0.413E-02
DAV: 20 -0.383469508982E+03 -0.69993E-02 -0.58060E-04 336 0.597E-02 0.519E-02
DAV: 21 -0.383477509291E+03 -0.80003E-02 -0.54403E-04 300 0.455E-02 0.333E-02
DAV: 22 -0.383479543831E+03 -0.20345E-02 -0.88729E-05 309 0.202E-02 0.130E-02
DAV: 23 -0.383481870008E+03 -0.23262E-02 -0.13071E-04 291 0.245E-02 0.105E-02
DAV: 24 -0.383482621708E+03 -0.75170E-03 -0.21507E-05 255 0.105E-02 0.791E-03
DAV: 25 -0.383483149015E+03 -0.52731E-03 -0.26434E-05 255 0.138E-02 0.622E-03
DAV: 26 -0.383483408806E+03 -0.25979E-03 -0.78563E-06 219 0.647E-03 0.380E-03
DAV: 27 -0.383483544409E+03 -0.13560E-03 -0.44004E-06 228 0.464E-03 0.179E-03
DAV: 28 -0.383483657427E+03 -0.11302E-03 -0.30574E-06 192 0.346E-03 0.315E-03
DAV: 29 -0.383483714485E+03 -0.57058E-04 -0.20290E-06 210 0.274E-03 0.148E-03
DAV: 30 -0.383483735165E+03 -0.20680E-04 -0.95799E-07 228 0.196E-03 0.973E-04
DAV: 31 -0.383483750809E+03 -0.15643E-04 -0.60254E-07 201 0.145E-03 0.482E-04
DAV: 32 -0.383483759802E+03 -0.89932E-05 -0.35275E-07 219 0.987E-04
1 F= -.38348376E+03 E0= -.38350026E+03 d E =0.494944E-01