Running Abinit Response calculations
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[SOLVED] PAW carbon surface energy calculation diverges
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6 | 476 | August 17, 2021 |
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Response function calculation of d/dk wave function with empty states
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3 | 448 | July 30, 2021 |
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Phonon calculation about q wavevectors setting
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1 | 2175 | July 28, 2021 |
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PAW+DFPT+GGA has unreasonable energy values
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5 | 739 | July 28, 2021 |
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Elastic constants of Cr
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2 | 924 | July 28, 2021 |
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Nonlinear optic calculation
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1 | 447 | July 28, 2021 |
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How to calculate absorption spectrum and photothermal conversion efficiency
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1 | 529 | July 28, 2021 |
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Get the irreducible atomic perturbations numbers
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2 | 361 | July 17, 2021 |
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Calculation of dynamical matrix from single q-point after mrgddb
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1 | 1266 | July 10, 2021 |
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Is it possible to do discrete-dipole approximation (DDA) calculations?
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1 | 206 | July 7, 2021 |
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My_hsize = 0 Error
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1 | 960 | April 12, 2021 |