Stack Exchange

Anoop .A .Nair

India

https://sites.google.com/view/anoopsquantumdiary/home

**I'm a coding enthusiast...trying to make ideas come alive with code..**
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Top Questions
13 votes

Are there any codes to study magnetic materials?

one-topic-per-answer software-recommendations magnetism heisenberg-model atomistic-simulation asked Nov 8 '20 at 13:15
mattermodeling.stackexchange.com

12 votes

When should spin polarized calculations be done?

density-functional-theory vasp quantum-espresso magnetism spin asked Sep 20 '20 at 10:00
mattermodeling.stackexchange.com

11 votes

When should “vc-relax” be performed over “relax” calculations in Quantum ESPRESSO?

density-functional-theory quantum-espresso geometry-optimization cell-optimization asked Sep 23 '20 at 21:28
mattermodeling.stackexchange.com

11 votes

Should I do vc-relax with nspin=2 in Quantum Espresso for magnetic samples?

quantum-espresso geometry-optimization density-of-states nspin cell-optimization asked Oct 1 '20 at 13:47
mattermodeling.stackexchange.com

10 votes

How to visualize MuMax3 shapes?

magnetism visualization-software mumax3 micro-magnetics asked Oct 10 '20 at 12:46
mattermodeling.stackexchange.com

10 votes

Can you list some useful code snippets for processing quantum ESPRESSO output files?

software one-topic-per-answer quantum-espresso asked Nov 7 '20 at 10:06
mattermodeling.stackexchange.com

10 votes

Is the “Final Magnetic moment” in the materials project repository same as the “total magnetization” value in Quantum ESPRESSO output files?

density-functional-theory quantum-espresso magnetism asked Dec 4 '20 at 11:42
mattermodeling.stackexchange.com

10 votes

How can I prove that a material is ferroelectric using DFT?

density-functional-theory 2d-lattice berry-phase ferroelectric asked Dec 29 '20 at 7:57
mattermodeling.stackexchange.com

9 votes

How to extract the Pressure, Energy and unit-cell volume from quantum ESPRESSO output file using bash script?

quantum-espresso bulk-modulus asked Oct 17 '20 at 10:54
mattermodeling.stackexchange.com

9 votes

How to calculate the exchange matrix of a bilayer magentic system?

magnetism spin-exchange atomistic-simulation curie-temperature exchange-matrix asked Oct 18 '20 at 19:40
mattermodeling.stackexchange.com

1 2 3

Top Answers
17
High-Performance Computing: What does “Mio CPUh” mean?
mattermodeling.stackexchange.com

11
What are good resources to learn to code for matter modeling?
mattermodeling.stackexchange.com

10
Is it possible to calculate the Curie temperature for magnetic systems?
mattermodeling.stackexchange.com

8
Open Source PyMol Conda Package: UnsatisfiableError
mattermodeling.stackexchange.com

8
How to use the ev.x tool in Quantum ESPRESSO?
mattermodeling.stackexchange.com

8
What is a good programming language for matter modeling?
mattermodeling.stackexchange.com

8
How to extract the Pressure, Energy and unit-cell volume from quantum ESPRESSO output file using bash script?
mattermodeling.stackexchange.com

8
Which are the freely available crystal-structure visualization softwares?
mattermodeling.stackexchange.com

7
What's the difference between spin-unpolarized, spin-polarized and non-colinear calculation?
mattermodeling.stackexchange.com

7
Comparing calculations in plane wave and atomic orbital bases for the same functional
mattermodeling.stackexchange.com

7
Spin orbit coupling from spin polarized density of states?
mattermodeling.stackexchange.com

7
How to define a nonconventional geometry to obtain exchange spring hysteresis loop structure using MuMax3?
mattermodeling.stackexchange.com

6
How to visualize MuMax3 shapes?
mattermodeling.stackexchange.com

6
k-points: Odd vs. Even
mattermodeling.stackexchange.com

6
How can I increase the default maximum limit on step size for convergence in quantum ESPRESSO?
mattermodeling.stackexchange.com

5
Computer simulation of squeezing flexible objects with force
mattermodeling.stackexchange.com