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GGA/GGA+U Calculations - Materials Project Documentation
GGA/GGA+U Calculations - Materials Project Documentation

Color online) Band structures near EF : (a)-(c) within GGA+U , and... |  Download Scientific Diagram
Color online) Band structures near EF : (a)-(c) within GGA+U , and... | Download Scientific Diagram

Figure 2 | Effect of Fe Concentration on Fe-Doped Anatase TiO2 from GGA + U  Calculations
Figure 2 | Effect of Fe Concentration on Fe-Doped Anatase TiO2 from GGA + U Calculations

The calculated GGA and GGA + U total and partial density of states of... |  Download Scientific Diagram
The calculated GGA and GGA + U total and partial density of states of... | Download Scientific Diagram

Correlation Effects on Lattice Relaxation and Electronic Structure of ZnO  within the GGA+U Formalism | The Journal of Physical Chemistry C
Correlation Effects on Lattice Relaxation and Electronic Structure of ZnO within the GGA+U Formalism | The Journal of Physical Chemistry C

Comparative density functional studies of pristine and doped bismuth  ferrite polymorphs by GGA+U and meta-GGA SCAN+U - Physical Chemistry  Chemical Physics (RSC Publishing)
Comparative density functional studies of pristine and doped bismuth ferrite polymorphs by GGA+U and meta-GGA SCAN+U - Physical Chemistry Chemical Physics (RSC Publishing)

Electronic and vibrational properties of transition metal-oxides:  Comparison of GGA, GGA + U, and hybrid approaches - ScienceDirect
Electronic and vibrational properties of transition metal-oxides: Comparison of GGA, GGA + U, and hybrid approaches - ScienceDirect

Overview – Self-consistent Hubbard-U corrections for transition metal oxides
Overview – Self-consistent Hubbard-U corrections for transition metal oxides

The DFT+U: Approaches, Accuracy, and Applications | IntechOpen
The DFT+U: Approaches, Accuracy, and Applications | IntechOpen

Electronic structure of bulk and two-dimensional SrTiO3: DFT calculation  with GGA + U methods | SpringerLink
Electronic structure of bulk and two-dimensional SrTiO3: DFT calculation with GGA + U methods | SpringerLink

Effects of oxygen vacancies on the structural and optical properties of  β-Ga2O3 | Scientific Reports
Effects of oxygen vacancies on the structural and optical properties of β-Ga2O3 | Scientific Reports

Systematic beyond-DFT study of binary transition metal oxides | npj  Computational Materials
Systematic beyond-DFT study of binary transition metal oxides | npj Computational Materials

Formation enthalpies by mixing GGA and GGA + U calculations
Formation enthalpies by mixing GGA and GGA + U calculations

Stream G.G.A U Lie (Explicit) by GGA | Listen online for free on SoundCloud
Stream G.G.A U Lie (Explicit) by GGA | Listen online for free on SoundCloud

The DOS and band structures obtained from GGA or GGA + U scheme for... |  Download Scientific Diagram
The DOS and band structures obtained from GGA or GGA + U scheme for... | Download Scientific Diagram

Spin-polarized GGA+U (Ueff = 6 eV for Cu 3d) calculated band structure... |  Download Scientific Diagram
Spin-polarized GGA+U (Ueff = 6 eV for Cu 3d) calculated band structure... | Download Scientific Diagram

Band structure of A-TiO2 by GGA + U calculations with various U values:...  | Download Scientific Diagram
Band structure of A-TiO2 by GGA + U calculations with various U values:... | Download Scientific Diagram

Electronic structure of bulk and two-dimensional SrTiO3: DFT calculation  with GGA + U methods | SpringerLink
Electronic structure of bulk and two-dimensional SrTiO3: DFT calculation with GGA + U methods | SpringerLink

arXiv:1607.03945v2 [cond-mat.str-el] 11 Jan 2017
arXiv:1607.03945v2 [cond-mat.str-el] 11 Jan 2017

Hubbard‐corrected DFT energy functionals: The LDA+U description of  correlated systems - Himmetoglu - 2014 - International Journal of Quantum  Chemistry - Wiley Online Library
Hubbard‐corrected DFT energy functionals: The LDA+U description of correlated systems - Himmetoglu - 2014 - International Journal of Quantum Chemistry - Wiley Online Library

PDF] Combined hybrid functional and DFT+U calculations for metal  chalcogenides. | Semantic Scholar
PDF] Combined hybrid functional and DFT+U calculations for metal chalcogenides. | Semantic Scholar

Self-consistent ${\rm DFT}+U+V$ study of oxygen vacancies in ${\rm SrTiO}_3$
Self-consistent ${\rm DFT}+U+V$ study of oxygen vacancies in ${\rm SrTiO}_3$

Exercises with DFT+U
Exercises with DFT+U