iterations/neb0_image01_iter48_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 0.144687012305E+04 0.14469E+04 -0.44188E+04 330 0.697E+02
DAV: 2 0.227720474293E+03 -0.12191E+04 -0.11421E+04 426 0.163E+02
DAV: 3 -0.362790491642E+03 -0.59051E+03 -0.58710E+03 345 0.114E+02
DAV: 4 -0.433459986229E+03 -0.70669E+02 -0.70400E+02 318 0.512E+01
DAV: 5 -0.435046750234E+03 -0.15868E+01 -0.15844E+01 318 0.783E+00 0.426E+01
DAV: 6 -0.389082641042E+03 0.45964E+02 -0.14796E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385607199706E+03 0.34754E+01 -0.13287E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384136954954E+03 0.14702E+01 -0.21331E+00 327 0.381E+00 0.430E+00
DAV: 9 -0.383588194105E+03 0.54876E+00 -0.14667E+00 345 0.234E+00 0.129E+00
DAV: 10 -0.383522700696E+03 0.65493E-01 -0.28535E-01 318 0.111E+00 0.105E+00
DAV: 11 -0.383502082215E+03 0.20618E-01 -0.26615E-01 354 0.626E-01 0.100E+00
DAV: 12 -0.383485843693E+03 0.16239E-01 -0.30125E-01 327 0.717E-01 0.934E-01
DAV: 13 -0.383464004481E+03 0.21839E-01 -0.15356E-01 345 0.547E-01 0.663E-01
DAV: 14 -0.383451841092E+03 0.12163E-01 -0.44439E-02 327 0.387E-01 0.431E-01
DAV: 15 -0.383449067353E+03 0.27737E-02 -0.19432E-02 318 0.423E-01 0.300E-01
DAV: 16 -0.383452892379E+03 -0.38250E-02 -0.74341E-03 318 0.245E-01 0.199E-01
DAV: 17 -0.383459806572E+03 -0.69142E-02 -0.31038E-03 282 0.162E-01 0.153E-01
DAV: 18 -0.383468577535E+03 -0.87710E-02 -0.27635E-03 345 0.169E-01 0.112E-01
DAV: 19 -0.383473901588E+03 -0.53241E-02 -0.21873E-03 354 0.139E-01 0.987E-02
DAV: 20 -0.383480732656E+03 -0.68311E-02 -0.34497E-03 372 0.131E-01 0.170E-01
DAV: 21 -0.383482306418E+03 -0.15738E-02 -0.11099E-03 318 0.927E-02 0.891E-02
DAV: 22 -0.383484255490E+03 -0.19491E-02 -0.70356E-04 327 0.575E-02 0.977E-02
DAV: 23 -0.383490466339E+03 -0.62108E-02 -0.15963E-03 300 0.761E-02 0.904E-02
DAV: 24 -0.383494584634E+03 -0.41183E-02 -0.41466E-04 309 0.522E-02 0.333E-02
DAV: 25 -0.383496488487E+03 -0.19039E-02 -0.15437E-04 327 0.278E-02 0.320E-02
DAV: 26 -0.383497165301E+03 -0.67681E-03 -0.36386E-05 327 0.161E-02 0.251E-02
DAV: 27 -0.383499080957E+03 -0.19157E-02 -0.94767E-05 291 0.182E-02 0.306E-02
DAV: 28 -0.383499919624E+03 -0.83867E-03 -0.45619E-05 300 0.126E-02 0.206E-02
DAV: 29 -0.383500309117E+03 -0.38949E-03 -0.34308E-05 291 0.162E-02 0.120E-02
DAV: 30 -0.383500529069E+03 -0.21995E-03 -0.11510E-05 228 0.882E-03 0.930E-03
DAV: 31 -0.383500618121E+03 -0.89052E-04 -0.46830E-06 237 0.528E-03 0.113E-02
DAV: 32 -0.383500673357E+03 -0.55236E-04 -0.26564E-06 210 0.459E-03 0.636E-03
DAV: 33 -0.383500707519E+03 -0.34163E-04 -0.25528E-06 219 0.367E-03 0.344E-03
DAV: 34 -0.383500723874E+03 -0.16355E-04 -0.81943E-07 228 0.240E-03 0.196E-03
DAV: 35 -0.383500749800E+03 -0.25925E-04 -0.10364E-06 192 0.214E-03 0.141E-03
DAV: 36 -0.383500758031E+03 -0.82306E-05 -0.42083E-07 228 0.147E-03
1 F= -.38350076E+03 E0= -.38351747E+03 d E =0.501303E-01