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All questions asked by Brokhus

List all solved & unsolved questions asked by Brokhus

Sort matrix columns based on the values in the first row

2   Stack Overflow Asked on 02/12/2021

matrix  python  python 3.x  sorting 

What is the role of a chemist in computational chemistry?

4   Matter Modeling Asked on 12/09/2021

computational chemistry  density functional theory  functional  history 

How to deduce phase transitions from a phonon calculation?

2   Matter Modeling Asked on 12/09/2021

band structure  lattice dynamics  perovskites  phonons  symmetry 

LAMMPS code that I wrote not behaving as expected. Some issue with the group & region commands

1   Matter Modeling Asked on 12/07/2021

covid 19  lammps  molecular dynamics  proteins  visualization software 

Standard values for level of convergence

1   Matter Modeling Asked on 12/07/2021

convergence test  density functional theory  numerical convergence  self consistent field  vasp 

What are some codes available for Dynamical Mean Field Theory (DMFT)?

3   Matter Modeling Asked on 12/04/2021

condensed matter  dynamical mean field theory  electronic structure  one topic per answer  software 

What are the types of Quantum Molecular Dynamics (QMD)?

1   Matter Modeling Asked on 12/04/2021

molecular dynamics  one topic per answer  quantum dynamics  quantum mechanics  terminology 

More matter modeling codes or better codes?

2   Matter Modeling Asked on 12/02/2021

software 

Property related with Berry curvature: $Omega_{n,munu}=-Omega_{n,numu}$

1   Matter Modeling Asked on 12/02/2021

berry phase  condensed matter  quantum mechanics 

Are there properties that can only be calculated with a given set-up?

1   Matter Modeling Asked on 11/24/2021

basis sets  conceptual dft  density functional theory  pseudopotentials  software 

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