./iterations/neb0_image01_iter7_OSZICAR.out output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.150962801271E+04 0.15096E+04 -0.43516E+04 322 0.697E+02
DAV: 2 0.252987393600E+03 -0.12566E+04 -0.11788E+04 428 0.164E+02
DAV: 3 -0.355187447579E+03 -0.60817E+03 -0.60433E+03 348 0.118E+02
DAV: 4 -0.433274167292E+03 -0.78087E+02 -0.77761E+02 316 0.535E+01
DAV: 5 -0.435113708252E+03 -0.18395E+01 -0.18365E+01 340 0.827E+00 0.426E+01
DAV: 6 -0.389198690930E+03 0.45915E+02 -0.14917E+02 308 0.287E+01 0.208E+01
DAV: 7 -0.385737910722E+03 0.34608E+01 -0.12496E+01 340 0.775E+00 0.104E+01
DAV: 8 -0.384313028814E+03 0.14249E+01 -0.18735E+00 332 0.369E+00 0.423E+00
DAV: 9 -0.383794045336E+03 0.51898E+00 -0.12850E+00 332 0.211E+00 0.129E+00
DAV: 10 -0.383732704265E+03 0.61341E-01 -0.34303E-01 340 0.967E-01 0.125E+00
DAV: 11 -0.383705423537E+03 0.27281E-01 -0.22551E-01 348 0.548E-01 0.774E-01
DAV: 12 -0.383680852949E+03 0.24571E-01 -0.26653E-02 308 0.431E-01 0.457E-01
DAV: 13 -0.383666388063E+03 0.14465E-01 -0.60306E-02 308 0.514E-01 0.594E-01
DAV: 14 -0.383658956750E+03 0.74313E-02 -0.25793E-02 332 0.363E-01 0.339E-01
DAV: 15 -0.383661818323E+03 -0.28616E-02 -0.22904E-02 300 0.340E-01 0.288E-01
DAV: 16 -0.383668995300E+03 -0.71770E-02 -0.11041E-02 308 0.231E-01 0.135E-01
DAV: 17 -0.383678840553E+03 -0.98453E-02 -0.28541E-03 300 0.152E-01 0.127E-01
DAV: 18 -0.383692138130E+03 -0.13298E-01 -0.33997E-03 324 0.194E-01 0.102E-01
DAV: 19 -0.383697551457E+03 -0.54133E-02 -0.15464E-03 316 0.102E-01 0.595E-02
DAV: 20 -0.383704119398E+03 -0.65679E-02 -0.50536E-04 300 0.529E-02 0.577E-02
DAV: 21 -0.383709568224E+03 -0.54488E-02 -0.34637E-04 316 0.409E-02 0.521E-02
DAV: 22 -0.383712102954E+03 -0.25347E-02 -0.18644E-04 332 0.341E-02 0.163E-02
DAV: 23 -0.383713107646E+03 -0.10047E-02 -0.42120E-05 316 0.160E-02 0.149E-02
DAV: 24 -0.383714398150E+03 -0.12905E-02 -0.69920E-05 292 0.166E-02 0.963E-03
DAV: 25 -0.383715124864E+03 -0.72671E-03 -0.36164E-05 276 0.110E-02 0.700E-03
DAV: 26 -0.383715390530E+03 -0.26567E-03 -0.11481E-05 228 0.949E-03 0.570E-03
DAV: 27 -0.383715494876E+03 -0.10435E-03 -0.55316E-06 236 0.526E-03 0.329E-03
DAV: 28 -0.383715597717E+03 -0.10284E-03 -0.35412E-06 204 0.509E-03 0.199E-03
DAV: 29 -0.383715664806E+03 -0.67089E-04 -0.33714E-06 228 0.418E-03 0.213E-03
DAV: 30 -0.383715690235E+03 -0.25429E-04 -0.10608E-06 228 0.258E-03 0.872E-04
DAV: 31 -0.383715713811E+03 -0.23576E-04 -0.15861E-06 212 0.315E-03 0.153E-03
DAV: 32 -0.383715717236E+03 -0.34253E-05 -0.35091E-07 236 0.202E-03
1 F= -.38371572E+03 E0= -.38372890E+03 d E =0.395625E-01