iterations/neb0_image02_iter15_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 0.144808203098E+04 0.14481E+04 -0.44193E+04 330 0.697E+02
DAV: 2 0.224471455034E+03 -0.12236E+04 -0.11470E+04 435 0.163E+02
DAV: 3 -0.362859438164E+03 -0.58733E+03 -0.58420E+03 345 0.114E+02
DAV: 4 -0.433463152728E+03 -0.70604E+02 -0.70367E+02 309 0.508E+01
DAV: 5 -0.435047203062E+03 -0.15841E+01 -0.15815E+01 318 0.781E+00 0.426E+01
DAV: 6 -0.389085928782E+03 0.45961E+02 -0.14801E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385617171891E+03 0.34688E+01 -0.13351E+01 345 0.778E+00 0.104E+01
DAV: 8 -0.384138859798E+03 0.14783E+01 -0.20146E+00 336 0.380E+00 0.429E+00
DAV: 9 -0.383588050952E+03 0.55081E+00 -0.94767E-01 336 0.223E+00 0.119E+00
DAV: 10 -0.383532758726E+03 0.55292E-01 -0.31727E-01 327 0.101E+00 0.120E+00
DAV: 11 -0.383503281982E+03 0.29477E-01 -0.87264E-02 327 0.607E-01 0.788E-01
DAV: 12 -0.383483469025E+03 0.19813E-01 -0.31017E-02 336 0.490E-01 0.868E-01
DAV: 13 -0.383471890755E+03 0.11578E-01 -0.96746E-02 363 0.447E-01 0.594E-01
DAV: 14 -0.383455742259E+03 0.16148E-01 -0.13614E-02 318 0.431E-01 0.237E-01
DAV: 15 -0.383454802325E+03 0.93993E-03 -0.11018E-02 327 0.333E-01 0.217E-01
DAV: 16 -0.383459756314E+03 -0.49540E-02 -0.44258E-03 327 0.214E-01 0.148E-01
DAV: 17 -0.383468982089E+03 -0.92258E-02 -0.21059E-03 282 0.170E-01 0.157E-01
DAV: 18 -0.383481399559E+03 -0.12417E-01 -0.39507E-03 300 0.181E-01 0.751E-02
DAV: 19 -0.383488539851E+03 -0.71403E-02 -0.16443E-03 327 0.117E-01 0.555E-02
DAV: 20 -0.383493593255E+03 -0.50534E-02 -0.35341E-04 327 0.510E-02 0.486E-02
DAV: 21 -0.383501451034E+03 -0.78578E-02 -0.46780E-04 291 0.453E-02 0.496E-02
DAV: 22 -0.383505246334E+03 -0.37953E-02 -0.21005E-04 354 0.362E-02 0.160E-02
DAV: 23 -0.383507091697E+03 -0.18454E-02 -0.66398E-05 309 0.190E-02 0.118E-02
DAV: 24 -0.383508552994E+03 -0.14613E-02 -0.59080E-05 291 0.150E-02 0.809E-03
DAV: 25 -0.383509841653E+03 -0.12887E-02 -0.71128E-05 291 0.135E-02 0.696E-03
DAV: 26 -0.383510073341E+03 -0.23169E-03 -0.65352E-06 237 0.724E-03 0.346E-03
DAV: 27 -0.383510309059E+03 -0.23572E-03 -0.91652E-06 201 0.718E-03 0.270E-03
DAV: 28 -0.383510376333E+03 -0.67274E-04 -0.28635E-06 228 0.388E-03 0.289E-03
DAV: 29 -0.383510442174E+03 -0.65841E-04 -0.30166E-06 201 0.465E-03 0.163E-03
DAV: 30 -0.383510466562E+03 -0.24388E-04 -0.12805E-06 219 0.249E-03 0.824E-04
DAV: 31 -0.383510483964E+03 -0.17402E-04 -0.71578E-07 219 0.176E-03 0.864E-04
DAV: 32 -0.383510497787E+03 -0.13823E-04 -0.48434E-07 192 0.132E-03 0.583E-04
DAV: 33 -0.383510504211E+03 -0.64239E-05 -0.25685E-07 219 0.101E-03
1 F= -.38351050E+03 E0= -.38352710E+03 d E =0.497810E-01