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Doumont, Jan
 
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Results 1-11 of 11 (Search time: 0.001 seconds).

PreviewAuthor(s)TitleTypeIssue Date
1Doumont, Jan ; Tran, Fabien ; Blaha, Peter Erratum: Implementation of self-consistent MGGA functionals in augmented plane wave based methods (Phys. Rev. B (2022) 105 (195138) DOI: 10.1103/PhysRevB.105.195138)Article Artikel15-Oct-2022
2Doumont, Jan ; Tran, Fabien ; Blaha, Peter Implementation of self-consistent MGGA functionals in augmented plane wave based methodsArtikel Article 2022
3Patra, Abhilash ; Jana, Subrata ; Samal, Prasanjit ; Tran, Fabien ; Kalantari, Leila ; Doumont, Jan ; Blaha, Peter Efficient Band Structure Calculation of Two-Dimensional Materials from Semilocal Density FunctionalsArtikel Article 2021
4Tran, Fabien ; Doumont, Jan ; Kalantari, Leila ; Blaha, Peter ; Rauch, Thomas ; Borlido, Pedro ; Botti, Silvana ; Marques, Miguel A. L. ; Patra, Abhilash ; Jana, Subrata ; Samal, Prasanjit Bandgap of two-dimensional materials: Thorough assessment of modern exchange-correlation functionalsArtikel Article 2021
5Borlido, Pedro ; Doumont, Jan ; Tran, Fabien ; Marques, Miguel A. L. ; Botti, Silvana Validation of Pseudopotential Calculations for the Electronic Band Gap of SolidsArtikel Article 2020
6Tran, Fabien ; Doumont, Jan ; Kalantari, Leila ; Huran, Ahmad W. ; Marques, Miguel A. L. ; Blaha, Peter Semilocal exchange-correlation potentials for solid-state calculations: Current status and future directionsArtikel Article 2019
7Doumont, Jan ; Tran, F ; Blaha, Peter Limitations of the DFT-1/2 method for covalent semiconductors and transition-metal oxidesPräsentation Presentation2019
8Tran, Fabien ; Doumont, Jan ; Blaha, Peter ; Marques, Miguel A. L. ; Botti, Silvana ; Bartók, Albert P. On the calculation of the bandgap of periodic solids with MGGA functionals using the total energyArtikel Article 2019
9Doumont, Jan ; Tran, Fabien ; Blaha, Peter Limitations of the DFT-1/2 method for covalent semiconductors and transition-metal oxidesArtikel Article 2019
10Doumont, Jan Limitations of the LDA-1/2Technique for Calculating Band Gaps in DFTPräsentation Presentation2018
11Doumont, Jan ; Tran, F Recent developments in semilocal functionals for solidsPräsentation Presentation2018