iterations/neb0_image06_iter11_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 0.145151332449E+04 0.14515E+04 -0.44228E+04 330 0.697E+02
DAV: 2 0.227836754192E+03 -0.12237E+04 -0.11476E+04 426 0.163E+02
DAV: 3 -0.365384330849E+03 -0.59322E+03 -0.58991E+03 354 0.114E+02
DAV: 4 -0.433217726329E+03 -0.67833E+02 -0.67580E+02 318 0.490E+01
DAV: 5 -0.434700575019E+03 -0.14828E+01 -0.14804E+01 318 0.757E+00 0.427E+01
DAV: 6 -0.388838456644E+03 0.45862E+02 -0.14848E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385396890066E+03 0.34416E+01 -0.13342E+01 345 0.782E+00 0.104E+01
DAV: 8 -0.383949366453E+03 0.14475E+01 -0.24069E+00 345 0.391E+00 0.435E+00
DAV: 9 -0.383416750912E+03 0.53262E+00 -0.16287E+00 336 0.241E+00 0.130E+00
DAV: 10 -0.383330273707E+03 0.86477E-01 -0.15883E-01 327 0.113E+00 0.114E+00
DAV: 11 -0.383315385696E+03 0.14888E-01 -0.51359E-01 354 0.997E-01 0.803E-01
DAV: 12 -0.383285967329E+03 0.29418E-01 -0.28918E-02 327 0.476E-01 0.761E-01
DAV: 13 -0.383270788781E+03 0.15179E-01 -0.46945E-02 372 0.481E-01 0.549E-01
DAV: 14 -0.383255926398E+03 0.14862E-01 -0.22082E-02 318 0.392E-01 0.213E-01
DAV: 15 -0.383254822035E+03 0.11044E-02 -0.12732E-02 309 0.344E-01 0.210E-01
DAV: 16 -0.383261773176E+03 -0.69511E-02 -0.66922E-03 327 0.259E-01 0.245E-01
DAV: 17 -0.383268407850E+03 -0.66347E-02 -0.15741E-03 336 0.160E-01 0.137E-01
DAV: 18 -0.383278753690E+03 -0.10346E-01 -0.22522E-03 300 0.139E-01 0.661E-02
DAV: 19 -0.383286652770E+03 -0.78991E-02 -0.21253E-03 327 0.118E-01 0.131E-01
DAV: 20 -0.383292520085E+03 -0.58673E-02 -0.11035E-03 318 0.994E-02 0.643E-02
DAV: 21 -0.383297842107E+03 -0.53220E-02 -0.49208E-04 318 0.500E-02 0.720E-02
DAV: 22 -0.383301859482E+03 -0.40174E-02 -0.29610E-04 327 0.431E-02 0.250E-02
DAV: 23 -0.383304108769E+03 -0.22493E-02 -0.12076E-04 318 0.264E-02 0.194E-02
DAV: 24 -0.383304941065E+03 -0.83230E-03 -0.27223E-05 282 0.132E-02 0.928E-03
DAV: 25 -0.383306507466E+03 -0.15664E-02 -0.77364E-05 273 0.156E-02 0.627E-03
DAV: 26 -0.383307072814E+03 -0.56535E-03 -0.19492E-05 246 0.809E-03 0.898E-03
DAV: 27 -0.383307442108E+03 -0.36929E-03 -0.23654E-05 237 0.101E-02 0.329E-03
DAV: 28 -0.383307529541E+03 -0.87433E-04 -0.38836E-06 237 0.493E-03 0.443E-03
DAV: 29 -0.383307640427E+03 -0.11089E-03 -0.32362E-06 201 0.412E-03 0.375E-03
DAV: 30 -0.383307681796E+03 -0.41369E-04 -0.19054E-06 219 0.324E-03 0.126E-03
DAV: 31 -0.383307699891E+03 -0.18096E-04 -0.77967E-07 228 0.202E-03 0.119E-03
DAV: 32 -0.383307729684E+03 -0.29792E-04 -0.11002E-06 210 0.209E-03 0.115E-03
DAV: 33 -0.383307734839E+03 -0.51552E-05 -0.29164E-07 228 0.117E-03
1 F= -.38330773E+03 E0= -.38332449E+03 d E =0.502692E-01