Matter Modeling

Revival

 Revival
Answer more than 30 days after a question was asked as first answer scoring 2 or more. This badge can be awarded multiple times.

earned this badge 14 times.
Is there a method or web API to get pricing from a SMILES string?
Awarded Oct 16 at 0:42
Easy ways to generate "teaching" band structures in Python?
Awarded Dec 12, 2022 at 8:06
How to run 2nd generation CPMD in CP2K?
Awarded Dec 11, 2022 at 13:42
What software can be used for Crystal Surface Calculations?
Awarded May 28, 2022 at 10:16
Wavefunction magnitudes being degenerate everywhere on parameter space even though energy degeneracies occur at isolated points?
Awarded Feb 6, 2022 at 5:31
Methods to determine the vacuum level in 2D compounds in the presence of dipoles
Awarded Jan 16, 2022 at 23:27
How do I compile Quantum Espresso with HDF5 support? (Linux)
Awarded Jan 11, 2022 at 0:55
Quantum ESPRESSO ph.x output
Awarded Sep 5, 2021 at 20:30
Why volume of unit cell is not the same as cubing the lattice constant?
Awarded Jun 27, 2021 at 4:35
Non-constant Vacuum potential
Awarded Jun 27, 2021 at 3:18
Incosistent charges and magnetic moments between SCF and PDOS calculations in Quantum Espresso
Awarded Jun 26, 2021 at 12:41
Reading in E-field with CP2K
Awarded Jan 6, 2021 at 0:57
How to understand effect of increase in band gap generated away from Fermi energy on conductivity?
Awarded Jan 6, 2021 at 0:57
Binding energy calculation for Zn atom on armchair graphene slab?
Awarded Jan 6, 2021 at 0:16

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