bulk_optimization
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bulk_optimization [2009/11/24 23:05] jelen |
bulk_optimization [2011/02/18 13:13] 127.0.0.1 external edit |
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| Detail description of the diamond structure can be found [[http://cst-www.nrl.navy.mil/lattice/struk/a4.html|elsewhere]]. | Detail description of the diamond structure can be found [[http://cst-www.nrl.navy.mil/lattice/struk/a4.html|elsewhere]]. | ||
| There is an elegant way to rescale atomic coordinates, lattice vector and k-points by only one parameter **''rescal''** defined in the section **''&OPTIONS''**. | There is an elegant way to rescale atomic coordinates, lattice vector and k-points by only one parameter **''rescal''** defined in the section **''&OPTIONS''**. | ||
| - | Our input atomic coordinates written in **''fireball.in''** look like: | + | Our input atomic coordinates written in **''Si.bas''** look like: |
| 2 | 2 | ||
bulk_optimization.txt ยท Last modified: 2014/02/09 11:23 (external edit)
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