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Electronic Properties
How to do a compared calculation of 2D density of GaAs
The two-dimensional electron density of gallium arsenide on a plane through the Ga-As bond, computed twice, independently : with Quantum ESPRESSO (…
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Single Calculations
How to calculate the 2D density of GaAS using QE code
The two-dimensional electron density of gallium arsenide on a plane through the Ga-As bond, computed with Quantum ESPRESSO alone -- a type 1, indep…
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Single Calculations
Calculation of the layer-by-layer magnetic moments of a Ni(001) slab with QE code
The layer-by-layer magnetic moments of a Ni(001) slab , computed with Quantum ESPRESSO alone -- a type 1, independent calculation with the QELK suit…
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Magnetic Calculations
Calculation of the 2D Spin Density of the magnetic Nickel Ni
The spin density of ferromagnetic nickel on a plane, computed twice and independently, with Quantum ESPRESSO (pw.x, then pp.x for the spin-up and s…
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Single Calculations
Calculation of the work function of Cu(001) surface) with QE code
The work function of the Cu(001) surface , computed with Quantum ESPRESSO alone -- a type 1, independent calculation with the QELK suite , and the f…
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Single Calculations
Study of the variation of magnetic moment againt lattice parameter
The total energy and the magnetic moment of bcc iron as a function of the lattice constant , computed with Quantum ESPRESSO alone -- a type 1, indep…
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Magnetic Calculations
Study of the compared magnetism of Iron Fe with elk and QE codes
The magnetic moment of bcc iron , computed twice and independently, with Quantum ESPRESSO (LSDA SCF) and with Elk (spin-polarised SCF), from one in…
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My name is Dr Abderrahmane Reggad. I'm a 54 year old and I am a researcher in materials' sciences.
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