./iterations/neb0_image08_iter14_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.369776123851E+03 0.36978E+03 -0.14254E+04 624 0.799E+02
DAV: 2 0.230589308589E+01 -0.36747E+03 -0.35519E+03 877 0.195E+02
DAV: 3 -0.961860574938E+02 -0.98492E+02 -0.98156E+02 680 0.116E+02
DAV: 4 -0.100528357382E+03 -0.43423E+01 -0.43301E+01 696 0.276E+01
DAV: 5 -0.100615985539E+03 -0.87628E-01 -0.87575E-01 744 0.353E+00 0.222E+01
DAV: 6 -0.920702800447E+02 0.85457E+01 -0.30771E+01 712 0.300E+01 0.116E+01
DAV: 7 -0.912505378661E+02 0.81974E+00 -0.17203E+00 696 0.638E+00 0.474E+00
DAV: 8 -0.908848644819E+02 0.36567E+00 -0.58007E-01 712 0.416E+00 0.166E+00
DAV: 9 -0.908033835784E+02 0.81481E-01 -0.12707E-01 717 0.160E+00 0.443E-01
DAV: 10 -0.907945522833E+02 0.88313E-02 -0.31266E-02 728 0.867E-01 0.274E-01
DAV: 11 -0.907992467739E+02 -0.46945E-02 -0.12469E-02 610 0.663E-01 0.183E-01
DAV: 12 -0.908002606429E+02 -0.10139E-02 -0.22293E-03 712 0.290E-01 0.116E-01
DAV: 13 -0.908051953258E+02 -0.49347E-02 -0.51958E-03 691 0.467E-01 0.102E-01
DAV: 14 -0.908062017738E+02 -0.10064E-02 -0.81597E-04 768 0.223E-01 0.660E-02
DAV: 15 -0.908082664847E+02 -0.20647E-02 -0.12707E-03 677 0.220E-01 0.366E-02
DAV: 16 -0.908102122458E+02 -0.19458E-02 -0.29913E-04 714 0.113E-01 0.261E-02
DAV: 17 -0.908112510834E+02 -0.10388E-02 -0.11358E-04 685 0.533E-02 0.941E-03
DAV: 18 -0.908118672700E+02 -0.61619E-03 -0.79169E-05 575 0.376E-02 0.110E-02
DAV: 19 -0.908120082714E+02 -0.14100E-03 -0.12293E-05 496 0.251E-02 0.552E-03
DAV: 20 -0.908120917443E+02 -0.83473E-04 -0.20662E-05 490 0.218E-02 0.556E-03
DAV: 21 -0.908121062449E+02 -0.14501E-04 -0.27498E-06 512 0.139E-02 0.360E-03
DAV: 22 -0.908121341165E+02 -0.27872E-04 -0.71801E-06 392 0.156E-02 0.295E-03
DAV: 23 -0.908121373233E+02 -0.32068E-05 -0.15480E-06 504 0.807E-03
1 F= -.90812137E+02 E0= -.90816360E+02 d E =0.126666E-01