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Home / Releases / 1.0 / Examples / nanotube-80
Name Modified Size InfoDownloads / Week
Parent folder
band.png 2014-11-21 11.8 kB
input 2014-11-21 3.2 kB
README 2014-11-21 438 Bytes
band.xmgr 2014-11-19 224.3 kB
input.band 2014-11-19 3.9 kB
input.band.bandstructure.png 2014-11-19 96.9 kB
input.band.bandstructure.xmgr 2014-11-19 224.2 kB
input.log.00 2014-11-19 211.7 kB
rho.png 2014-11-19 119.4 kB
Totals: 9 Items   895.8 kB 0
This is an example for 80 nantube.
input: input file for scf with 5 kpoints
input.log.00:  standard output file 
input.band:  input file for band structure calculation with 26 kpoint along Gamma-X
input.band.bandstructure.xmgr: data file for band structure
input.band.bandstructrue.png:  band structure plot with PLplot libs
band.png: modified band structrue plot around Fermi energy   
rho.png: charge density image created by xcrysden.
Source: README, updated 2014-11-21