Anoop A Nair's user avatar
Anoop A Nair's user avatar
Anoop A Nair's user avatar
Anoop A Nair
  • Member for 3 years, 6 months
  • Last seen more than 1 year ago
18 votes

What are the freely available crystal-structure visualization softwares?

16 votes

High-Performance Computing: What does "Mio CPUh" mean?

13 votes

Is it possible to calculate the Curie temperature for magnetic systems?

13 votes

How can I submit jobs to an HPC scheduler?

13 votes

What are good resources to learn to code for matter modeling?

12 votes

What is a good programming language for matter modeling?

12 votes

Extracting molecular structure from CIF file using VESTA or Mercury

9 votes

Structure visualization software for Windows

9 votes
Accepted

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

9 votes

Open Source PyMol Conda Package: UnsatisfiableError

8 votes

Running Quantum ESPRESSO calculations in Google Colab

8 votes

How to define a nonconventional geometry to obtain exchange spring hysteresis loop structure using MuMax3?

7 votes

Spin orbit coupling from spin polarized density of states?

7 votes

Comparing calculations in plane wave and atomic orbital bases for the same functional

7 votes

What's the difference between spin-unpolarized, spin-polarized and non-colinear calculation?

7 votes

k-points: Odd vs. Even

6 votes

How can I increase the default maximum limit on step size for convergence in quantum ESPRESSO?

6 votes

How to know optimal K-points grid values for good DFT calculation?

6 votes
Accepted

How to visualize MuMax3 shapes?

6 votes

What is the physical meaning of occupations='smearing' in Quantum ESPRESSO?

6 votes

How to proceed with learning application of Machine Learning in material modelling?

5 votes
Accepted

How do I predict the structure of a nanoparticle with Calypso and Quantum ESPRESSO?

5 votes

Computer simulation of squeezing flexible objects with force

5 votes

General Techniques for Smart Sampling in Matter Machine Learning?

5 votes

Validity of interpolation for density of states?

5 votes
Accepted

How to resolve the cif2cell TypeError?

4 votes

Quantifying electronic overlap?

4 votes

How can I calculate the J value in an antiferromagnetic material?

4 votes

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

3 votes

How do I get exact percentage of spin-polarization in Quantum ESPRESSO?