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Solid state calculations using WIEN2k
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instance of
scholarly article
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title
Solid state calculations using WIEN2k
(English)
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author name string
Karlheinz Schwarz
series ordinal
1
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Peter Blaha
series ordinal
2
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publication date
October 2003
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published in
Computational Materials Science
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volume
28
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issue
2
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page(s)
259-273
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cites work
Inhomogeneous Electron Gas
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Self-Consistent Equations Including Exchange and Correlation Effects
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Generalized Gradient Approximation Made Simple
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Linear methods in band theory
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Full-potential, linearized augmented plane wave programs for crystalline systems
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Ground-state properties of lanthanum: Treatment of extended-core states
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Electronic structure calculations of solids using the WIEN2k package for material sciences
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XCrySDen--a new program for displaying crystalline structures and electron densities.
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Recovering experimental and theoretical electron densities in corundum using the multipolar model: IUCr Multipole Refinement Project
1 reference
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Electron-density distribution in stishovite, SiO2: a new high-energy synchrotron-radiation study
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First-principles calculation of the electric field gradient of Li3N
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Charge distribution and electric-field gradients inYBa2Cu3O7−x
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Determination of the nuclear quadrupole moment of 57Fe
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Accurate Density Functional with Correct Formal Properties: A Step Beyond the Generalized Gradient Approximation
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Correlation induced paramagnetic ground state in FeAl
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First-principles studies of the structural and optical properties of crystalline poly(para-phenylene)
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High-Temperature Symmetry Breaking in the Electronic Band Structure of the Quasi-One-Dimensional SolidNbSe3
1 reference
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7 January 2021
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Identifiers
DOI
10.1016/S0927-0256(03)00112-5
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