iterations/neb0_image01_iter52_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 0.144719269216E+04 0.14472E+04 -0.44191E+04 330 0.697E+02
DAV: 2 0.227814321336E+03 -0.12194E+04 -0.11423E+04 426 0.163E+02
DAV: 3 -0.362849861897E+03 -0.59066E+03 -0.58727E+03 345 0.114E+02
DAV: 4 -0.433497833647E+03 -0.70648E+02 -0.70379E+02 318 0.512E+01
DAV: 5 -0.435083169221E+03 -0.15853E+01 -0.15830E+01 318 0.783E+00 0.426E+01
DAV: 6 -0.389095810245E+03 0.45987E+02 -0.14802E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385619898883E+03 0.34759E+01 -0.13345E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384148798883E+03 0.14711E+01 -0.21154E+00 327 0.381E+00 0.430E+00
DAV: 9 -0.383602313484E+03 0.54649E+00 -0.15373E+00 345 0.236E+00 0.131E+00
DAV: 10 -0.383536172453E+03 0.66141E-01 -0.28394E-01 318 0.111E+00 0.106E+00
DAV: 11 -0.383515906949E+03 0.20266E-01 -0.27552E-01 345 0.626E-01 0.100E+00
DAV: 12 -0.383496151788E+03 0.19755E-01 -0.27210E-01 327 0.715E-01 0.955E-01
DAV: 13 -0.383475931366E+03 0.20220E-01 -0.17390E-01 345 0.550E-01 0.683E-01
DAV: 14 -0.383463446692E+03 0.12485E-01 -0.27639E-02 327 0.391E-01 0.402E-01
DAV: 15 -0.383460821950E+03 0.26247E-02 -0.17284E-02 309 0.407E-01 0.279E-01
DAV: 16 -0.383465244402E+03 -0.44225E-02 -0.76947E-03 336 0.251E-01 0.194E-01
DAV: 17 -0.383471809207E+03 -0.65648E-02 -0.29565E-03 291 0.173E-01 0.164E-01
DAV: 18 -0.383478792615E+03 -0.69834E-02 -0.31729E-03 345 0.175E-01 0.107E-01
DAV: 19 -0.383486587246E+03 -0.77946E-02 -0.29934E-03 336 0.133E-01 0.141E-01
DAV: 20 -0.383487342860E+03 -0.75561E-03 -0.32886E-03 336 0.875E-02 0.894E-02
DAV: 21 -0.383495864812E+03 -0.85220E-02 -0.11826E-03 300 0.912E-02 0.722E-02
DAV: 22 -0.383500099885E+03 -0.42351E-02 -0.45308E-04 327 0.543E-02 0.417E-02
DAV: 23 -0.383505626356E+03 -0.55265E-02 -0.28464E-04 309 0.371E-02 0.474E-02
DAV: 24 -0.383509075762E+03 -0.34494E-02 -0.18297E-04 327 0.307E-02 0.305E-02
DAV: 25 -0.383509853031E+03 -0.77727E-03 -0.51886E-05 318 0.187E-02 0.147E-02
DAV: 26 -0.383510931982E+03 -0.10790E-02 -0.43470E-05 309 0.147E-02 0.117E-02
DAV: 27 -0.383512162732E+03 -0.12308E-02 -0.70256E-05 300 0.143E-02 0.104E-02
DAV: 28 -0.383512402563E+03 -0.23983E-03 -0.80208E-06 264 0.732E-03 0.533E-03
DAV: 29 -0.383512577432E+03 -0.17487E-03 -0.73810E-06 210 0.687E-03 0.235E-03
DAV: 30 -0.383512699971E+03 -0.12254E-03 -0.49167E-06 237 0.477E-03 0.381E-03
DAV: 31 -0.383512750054E+03 -0.50083E-04 -0.14475E-06 219 0.312E-03 0.164E-03
DAV: 32 -0.383512801201E+03 -0.51147E-04 -0.29439E-06 210 0.398E-03 0.279E-03
DAV: 33 -0.383512816845E+03 -0.15644E-04 -0.78422E-07 228 0.250E-03 0.132E-03
DAV: 34 -0.383512823686E+03 -0.68417E-05 -0.54082E-07 228 0.167E-03
1 F= -.38351282E+03 E0= -.38352948E+03 d E =0.499826E-01