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All questions asked by SSan

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Bending moment calculation

3   Engineering Asked on 01/26/2021

structural analysis  structures 

Dealing with symmetry of ordered primitive cell during DFT structure relaxation

1   Matter Modeling Asked on 08/19/2021

density functional theory  molecular dynamics  software  symmetry  vasp 

Deep Neural Networks: Are they able to provide insights for the many-electron problem or DFT?

1   Matter Modeling Asked on 02/20/2021

density functional theory  kohn sham  machine learning  many body physics  quantum monte carlo 

Temperature effect on elastic constant using VASP

1   Matter Modeling Asked on 02/15/2021

density functional theory  elastic constants  phonopy  temperature 

Can we consider SOC in FM materials using QE?

2   Matter Modeling Asked on 02/12/2021

density functional theory  magnetism  quantum espresso  spin orbit coupling 

Why linear response is absent in a non-centrosymmetric system with time reversal symmetry?

0   Matter Modeling Asked on 02/12/2021

optical properties  symmetry  weyl semimetal 

Formulate the Model Quantum Spin Hamiltonian for low dimensional (1D or 2D ) magnetic materials

0   Matter Modeling Asked on 01/26/2021

magnetism  model hamiltonians  reference request 

What methods are available for excited state calculations in solids?

2   Matter Modeling Asked on 01/06/2021

density functional theory  excited states  gw bse  one topic per answer  td dft 

How to set vacuum space for slabs?

1   Matter Modeling Asked on 12/25/2020

density functional theory  vasp 

Supercell band structure unfolding advantages

2   Matter Modeling Asked on 12/23/2020

band structure  density of states  reference request 

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