Núria López and Group: Difference between revisions
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[[Rutile]] related structures | [[Rutile]] related structures | ||
Wyckoff's Crystal Structures, vol. 1 [[Image: CrystalStructures_Wyckoff_vol1.pdf]] | |||
*''' List of very useful papers ''' | *''' List of very useful papers ''' | ||
Fundamentals of Plane Wave calculations: [http://prola.aps.org/abstract/RMP/v64/i4/p1045_1 ] | Fundamentals of Plane Wave calculations: [http://prola.aps.org/abstract/RMP/v64/i4/p1045_1 ] | ||
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Bayesian: [http://scitation.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=PRLTAO000095000021216401000001&idtype=cvips] | Bayesian: [http://scitation.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=PRLTAO000095000021216401000001&idtype=cvips] | ||
*'''Computational scaling''' | *'''Computational scaling''' | ||
[[Image: Computational_scaling.pdf ]] | [[Image: Computational_scaling.pdf ]] | ||
Revision as of 13:02, 19 April 2010
go back to Main Page, Computational Resources, Chemistry & More, Group Pages
- MatWeb Conversions
A useful unit conversor: http://www.matweb.com/tools/conversion.asp
- Cohesive Energies:
Cohesive Energies data in a pdf document: File:Cohesive Energies.pdf
- Platinum Group Metals properties
Lots of data on metals and alloys: [1] [2]
- Crystal structures:
Calculated Cell parameters for some transition and noble metals.
Crystal lattice prototypes [3]
Rutile related structures
Wyckoff's Crystal Structures, vol. 1 File:CrystalStructures Wyckoff vol1.pdf
- List of very useful papers
Fundamentals of Plane Wave calculations: [4] Test on functionals: [5] CI-NEB: d-band model: [6] Universality and related concepts: [7] [8] [9] Bayesian: [10]
- Computational scaling