iterations/neb0_image08_iter11_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 0.151200293221E+04 0.15120E+04 -0.43581E+04 322 0.697E+02
DAV: 2 0.253654752549E+03 -0.12583E+04 -0.11802E+04 420 0.164E+02
DAV: 3 -0.357884258871E+03 -0.61154E+03 -0.60720E+03 356 0.117E+02
DAV: 4 -0.433165446939E+03 -0.75281E+02 -0.74944E+02 308 0.517E+01
DAV: 5 -0.434892020485E+03 -0.17266E+01 -0.17234E+01 332 0.796E+00 0.429E+01
DAV: 6 -0.388569965289E+03 0.46322E+02 -0.14992E+02 324 0.286E+01 0.209E+01
DAV: 7 -0.385017079166E+03 0.35529E+01 -0.12963E+01 340 0.781E+00 0.104E+01
DAV: 8 -0.383581392989E+03 0.14357E+01 -0.23346E+00 332 0.394E+00 0.425E+00
DAV: 9 -0.383031321098E+03 0.55007E+00 -0.61611E-01 332 0.194E+00 0.962E-01
DAV: 10 -0.382975552305E+03 0.55769E-01 -0.13277E-01 332 0.938E-01 0.725E-01
DAV: 11 -0.382953151322E+03 0.22401E-01 -0.25340E-02 356 0.502E-01 0.504E-01
DAV: 12 -0.382943394962E+03 0.97564E-02 -0.35787E-02 316 0.347E-01 0.477E-01
DAV: 13 -0.382939195360E+03 0.41996E-02 -0.11004E-01 332 0.441E-01 0.632E-01
DAV: 14 -0.382937303843E+03 0.18915E-02 -0.28680E-02 308 0.332E-01 0.595E-01
DAV: 15 -0.382935172868E+03 0.21310E-02 -0.15301E-02 332 0.200E-01 0.276E-01
DAV: 16 -0.382941344487E+03 -0.61716E-02 -0.67088E-03 300 0.150E-01 0.159E-01
DAV: 17 -0.382956894057E+03 -0.15550E-01 -0.59120E-03 292 0.188E-01 0.162E-01
DAV: 18 -0.382966743019E+03 -0.98490E-02 -0.37773E-03 308 0.155E-01 0.758E-02
DAV: 19 -0.382974065408E+03 -0.73224E-02 -0.95973E-04 316 0.801E-02 0.496E-02
DAV: 20 -0.382979779363E+03 -0.57140E-02 -0.33080E-04 332 0.458E-02 0.452E-02
DAV: 21 -0.382984713239E+03 -0.49339E-02 -0.35146E-04 316 0.462E-02 0.420E-02
DAV: 22 -0.382986382324E+03 -0.16691E-02 -0.15375E-04 340 0.341E-02 0.287E-02
DAV: 23 -0.382986466457E+03 -0.84133E-04 -0.36905E-05 284 0.125E-02 0.293E-02
DAV: 24 -0.382986444123E+03 0.22334E-04 -0.98039E-07 236 0.287E-03 0.291E-02
DAV: 25 -0.382986103594E+03 0.34053E-03 -0.57136E-05 268 0.228E-02 0.259E-02
DAV: 26 -0.382987915639E+03 -0.18120E-02 -0.30984E-04 284 0.390E-02 0.570E-02
DAV: 27 -0.382988964396E+03 -0.10488E-02 -0.10124E-04 308 0.232E-02 0.922E-02
DAV: 28 -0.382990325083E+03 -0.13607E-02 -0.16367E-04 292 0.259E-02 0.159E-01
DAV: 29 -0.382991569885E+03 -0.12448E-02 -0.21975E-04 300 0.299E-02 0.264E-01
DAV: 30 -0.382991722632E+03 -0.15275E-03 -0.24538E-05 284 0.142E-02 0.296E-01
DAV: 31 -0.382991597396E+03 0.12524E-03 -0.29363E-05 284 0.152E-02 0.251E-01
DAV: 32 -0.382991439455E+03 0.15794E-03 -0.84538E-05 292 0.227E-02 0.176E-01
DAV: 33 -0.382991417341E+03 0.22114E-04 -0.33546E-05 292 0.177E-02 0.135E-01
DAV: 34 -0.382991511244E+03 -0.93903E-04 -0.31126E-05 276 0.244E-02 0.101E-01
DAV: 35 -0.382991685089E+03 -0.17384E-03 -0.67438E-05 308 0.322E-02 0.676E-02
DAV: 36 -0.382991751035E+03 -0.65946E-04 -0.66823E-05 324 0.207E-02 0.649E-02
DAV: 37 -0.382991753786E+03 -0.27509E-05 -0.11038E-05 252 0.784E-03
1 F= -.38299175E+03 E0= -.38300585E+03 d E =0.422804E-01