./iterations/neb0_image02_iter33_OSZICAR.out output for 40: 572-->565: F2 + F3Si-NF-SiF3, to SiF4 + F3Si-NF2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.802984906794E+03 0.80298E+03 -0.25785E+04 904 0.101E+03
DAV: 2 0.108036564556E+03 -0.69495E+03 -0.67796E+03 1152 0.280E+02
DAV: 3 -0.596343714062E+02 -0.16767E+03 -0.16716E+03 848 0.153E+02
DAV: 4 -0.647378327740E+02 -0.51035E+01 -0.50898E+01 891 0.292E+01
DAV: 5 -0.647968000967E+02 -0.58967E-01 -0.58845E-01 854 0.322E+00 0.204E+01
DAV: 6 -0.596667702514E+02 0.51300E+01 -0.17682E+01 824 0.232E+01 0.106E+01
DAV: 7 -0.594097067339E+02 0.25706E+00 -0.13157E+00 880 0.637E+00 0.424E+00
DAV: 8 -0.593903243986E+02 0.19382E-01 -0.18199E-01 864 0.269E+00 0.120E+00
DAV: 9 -0.593954268288E+02 -0.51024E-02 -0.24698E-02 955 0.146E+00 0.358E-01
DAV: 10 -0.593972495058E+02 -0.18227E-02 -0.55148E-03 859 0.473E-01 0.173E-01
DAV: 11 -0.593987731196E+02 -0.15236E-02 -0.12722E-03 839 0.279E-01 0.639E-02
DAV: 12 -0.594002740079E+02 -0.15009E-02 -0.29555E-04 862 0.158E-01 0.275E-02
DAV: 13 -0.594016893570E+02 -0.14153E-02 -0.19593E-04 834 0.113E-01 0.230E-02
DAV: 14 -0.594025590528E+02 -0.86970E-03 -0.10721E-04 785 0.720E-02 0.138E-02
DAV: 15 -0.594030563207E+02 -0.49727E-03 -0.41603E-05 721 0.402E-02 0.763E-03
DAV: 16 -0.594032719287E+02 -0.21561E-03 -0.18530E-05 583 0.247E-02 0.468E-03
DAV: 17 -0.594034362186E+02 -0.16429E-03 -0.10987E-05 591 0.148E-02 0.256E-03
DAV: 18 -0.594035263389E+02 -0.90120E-04 -0.57880E-06 576 0.940E-03 0.148E-03
DAV: 19 -0.594035668288E+02 -0.40490E-04 -0.27610E-06 551 0.644E-03 0.999E-04
DAV: 20 -0.594035803940E+02 -0.13565E-04 -0.83579E-07 475 0.350E-03 0.456E-04
DAV: 21 -0.594035892827E+02 -0.88887E-05 -0.69415E-07 498 0.298E-03
1 F= -.59403589E+02 E0= -.59407455E+02 d E =0.115963E-01