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Anoop A Nair
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28 Answers

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17
High-Performance Computing: What does “Mio CPUh” mean?
Nov 10 '20 at 14:42
11
What are good resources to learn to code for matter modeling?
Nov 4 '20 at 14:22
10
Is it possible to calculate the Curie temperature for magnetic systems?
Dec 7 '20 at 11:28
8
Which are the freely available crystal-structure visualization softwares?
Nov 10 '20 at 19:31
8
What is a good programming language for matter modeling?
Nov 2 '20 at 18:54
8
How to use the ev.x tool in Quantum ESPRESSO?
Oct 16 '20 at 22:01
8
Open Source PyMol Conda Package: UnsatisfiableError
Oct 13 '20 at 21:35
7
How to define a nonconventional geometry to obtain exchange spring hysteresis loop structure using MuMax3?
Nov 9 '20 at 12:45
7
Spin orbit coupling from spin polarized density of states?
Oct 21 '20 at 21:55
7
Comparing calculations in plane wave and atomic orbital bases for the same functional
Oct 19 '20 at 13:57
7
How to extract the Pressure, Energy and unit-cell volume from quantum ESPRESSO output file using bash script?
Oct 17 '20 at 10:54
7
What's the difference between spin-unpolarized, spin-polarized and non-colinear calculation?
Oct 14 '20 at 9:20
6
k-points: Odd vs. Even
Oct 13 '20 at 21:26
6
How to visualize MuMax3 shapes?
Oct 10 '20 at 19:41
5
Computer simulation of squeezing flexible objects with force
Oct 26 '20 at 14:13
5
How can I increase the default maximum limit on step size for convergence in quantum ESPRESSO?
Oct 17 '20 at 10:36
4
How do I predict the structure of a nanoparticle with Calypso and Quantum ESPRESSO?
Dec 31 '20 at 8:02
4
How to proceed with learning application of Machine Learning in material modelling?
Oct 26 '20 at 21:41
4
Validity of interpolation for density of states?
Oct 22 '20 at 7:31
3
Running Quantum ESPRESSO calculations in Google Colab
Oct 19 '20 at 22:29
3
General Techniques for Smart Sampling in Matter Machine Learning?
Oct 29 '20 at 10:49
3
Quantifying electronic overlap?
Oct 14 '20 at 9:30
3
What kind of information can be extracted from alloy microstructure images converted to Fourier space?
Oct 13 '20 at 21:10
3
How to know optimal K-points grid values for good DFT calculation?
Sep 26 '20 at 20:40
2
How to calculate the exchange matrix of a bilayer magentic system?
Dec 4 '20 at 12:21
2
What is the physical meaning of occupations='smearing' in Quantum ESPRESSO?
Oct 22 '20 at 17:53
2
How to resolve the cif2cell TypeError?
Oct 11 '20 at 19:36
2
How to explain Density Functional Theory results to an experimentalist?
Oct 8 '20 at 20:03