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Matter Modeling
Muhammad Hasan's user avatar
Muhammad Hasan's user avatar
Muhammad Hasan's user avatar
Muhammad Hasan
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question
6
What's the temperature of the output electronic properties get from Quantum Espresso/VASP, even if we use 298 K cell info (atom position) as an input?
May 15
question
5
How to make Quantum espresso input file from Vesta?
May 15
question
5
Which approach should one follow if a pseudopotential underestimate/overestimate some electronic properties from experimental value?
Jun 26
question
4
How do I know that a MD simulation (NPT ensemble) reach equilibrium?
Jul 30
question
4
Average value of lattice parameters from cell trajectory
Jun 10
question
4
Negative phonon frequencies at finite temperature
Jun 13
question
4
How to use vaspkit to generate AIMD input files?
May 20
question
4
Optical properties (temperature dependent dielectric constant) calculation using AIMD/CPMD: Is it possible with Quantum ESPRESSO?
May 21
question
4
Can I run q2r.x in Gamma point only?
May 27
question
4
How to plot temperature dependent Phonon dispersion using Quantum Espresso?
May 28