Content deleted Content added
GustiozWiki (talk | contribs) m minor detail |
GustiozWiki (talk | contribs) m →Strengths of SIESTA: link to an external website |
||
Line 41:
# It can tackle '''computationally demanding systems''' (systems currently out of the reach of plane-wave codes)
# '''High efficient''' parallelization
# '''[http://www.simune.eu Support for a professional use]'''
The use of linear combination of numerical atomic orbitals makes SIESTA a flexible and efficient DFT code. SIESTA is able to produce very fast calculations with small basis sets, allowing computing systems with a thousand of atoms. At the same time, the use of more complete and accurate bases allows to achieve accuracies comparable to those of standard plane waves calculations, still at an advantageous computational cost.
| |||