iterations/neb0_image08_iter3_OSZICAR.out output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.150954598028E+04 0.15095E+04 -0.43566E+04 322 0.697E+02
DAV: 2 0.254164660935E+03 -0.12554E+04 -0.11780E+04 420 0.164E+02
DAV: 3 -0.353773628589E+03 -0.60794E+03 -0.60368E+03 348 0.117E+02
DAV: 4 -0.432447861157E+03 -0.78674E+02 -0.78318E+02 316 0.535E+01
DAV: 5 -0.434292479720E+03 -0.18446E+01 -0.18416E+01 332 0.826E+00 0.427E+01
DAV: 6 -0.388343466380E+03 0.45949E+02 -0.14863E+02 324 0.285E+01 0.209E+01
DAV: 7 -0.384831868562E+03 0.35116E+01 -0.12759E+01 340 0.777E+00 0.104E+01
DAV: 8 -0.383413894482E+03 0.14180E+01 -0.26175E+00 324 0.395E+00 0.427E+00
DAV: 9 -0.382857385591E+03 0.55651E+00 -0.61139E-01 324 0.194E+00 0.100E+00
DAV: 10 -0.382795288447E+03 0.62097E-01 -0.18524E-01 332 0.105E+00 0.764E-01
DAV: 11 -0.382783427026E+03 0.11861E-01 -0.48139E-02 324 0.465E-01 0.645E-01
DAV: 12 -0.382767875103E+03 0.15552E-01 -0.64548E-02 324 0.431E-01 0.564E-01
DAV: 13 -0.382757675408E+03 0.10200E-01 -0.19538E-02 308 0.333E-01 0.251E-01
DAV: 14 -0.382760191560E+03 -0.25162E-02 -0.17057E-02 316 0.331E-01 0.351E-01
DAV: 15 -0.382760857203E+03 -0.66564E-03 -0.15195E-02 324 0.241E-01 0.213E-01
DAV: 16 -0.382768790457E+03 -0.79333E-02 -0.52029E-03 292 0.128E-01 0.103E-01
DAV: 17 -0.382784922070E+03 -0.16132E-01 -0.40604E-03 292 0.158E-01 0.728E-02
DAV: 18 -0.382792429549E+03 -0.75075E-02 -0.17131E-03 316 0.114E-01 0.738E-02
DAV: 19 -0.382800731695E+03 -0.83021E-02 -0.92632E-04 308 0.727E-02 0.363E-02
DAV: 20 -0.382806724398E+03 -0.59927E-02 -0.39692E-04 348 0.516E-02 0.253E-02
DAV: 21 -0.382808313727E+03 -0.15893E-02 -0.10562E-04 340 0.292E-02 0.259E-02
DAV: 22 -0.382808984530E+03 -0.67080E-03 -0.29503E-05 284 0.154E-02 0.276E-02
DAV: 23 -0.382808947116E+03 0.37415E-04 -0.91068E-06 236 0.939E-03 0.279E-02
DAV: 24 -0.382808825623E+03 0.12149E-03 -0.34944E-05 260 0.187E-02 0.249E-02
DAV: 25 -0.382811331599E+03 -0.25060E-02 -0.27614E-04 348 0.452E-02 0.174E-02
DAV: 26 -0.382812654748E+03 -0.13231E-02 -0.16844E-04 356 0.326E-02 0.182E-02
DAV: 27 -0.382812975482E+03 -0.32073E-03 -0.28666E-05 276 0.169E-02 0.157E-02
DAV: 28 -0.382813878077E+03 -0.90260E-03 -0.62815E-05 292 0.264E-02 0.103E-02
DAV: 29 -0.382814552899E+03 -0.67482E-03 -0.80188E-05 324 0.240E-02 0.823E-03
DAV: 30 -0.382814704932E+03 -0.15203E-03 -0.17849E-05 252 0.139E-02 0.782E-03
DAV: 31 -0.382814797723E+03 -0.92790E-04 -0.66117E-06 220 0.108E-02 0.718E-03
DAV: 32 -0.382814985234E+03 -0.18751E-03 -0.31685E-05 260 0.227E-02 0.536E-03
DAV: 33 -0.382815010595E+03 -0.25360E-04 -0.29757E-05 284 0.112E-02 0.473E-03
DAV: 34 -0.382815026210E+03 -0.15616E-04 -0.17695E-06 212 0.623E-03 0.395E-03
DAV: 35 -0.382815057351E+03 -0.31140E-04 -0.26462E-05 284 0.204E-02 0.431E-03
DAV: 36 -0.382815052154E+03 0.51967E-05 -0.86282E-06 228 0.114E-02
1 F= -.38281505E+03 E0= -.38282894E+03 d E =0.416502E-01