Local density calculation of structural and electronic properties for Ca10(PO4)6F2
- 28 February 1998
- journal article
- Published by Elsevier in Computational Materials Science
- Vol. 10 (1-4) , 346-350
- https://doi.org/10.1016/s0927-0256(97)00137-7
Abstract
No abstract availableKeywords
This publication has 3 references indexed in Scilit:
- Site Preference of Nd in Fluorapatite [Ca10(PO4)6F2]Journal of Solid State Chemistry, 1994
- Iterative minimization techniques forab initiototal-energy calculations: molecular dynamics and conjugate gradientsReviews of Modern Physics, 1992
- Efficient pseudopotentials for plane-wave calculationsPhysical Review B, 1991