Matter Modeling
Pranav kumar's user avatar
Pranav kumar's user avatar
Pranav kumar's user avatar
Pranav kumar
  • Member for 3 years, 1 month
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Profile Activity

15 Questions

Score Activity Newest Views
16 votes
2 answers
827 views

How may I create an interatomic potential using DFT?

8 votes
1 answer
552 views

Calculation of linear coefficient of thermal expansion using VASP-Phonopy for Hexagonal material

7 votes
1 answer
306 views

Case study : Symmetry operation between VASP and Quantum espresso

7 votes
0 answers
144 views

Scaling and speed-up of real-space DFT calculations using finite elements approach

7 votes
1 answer
282 views

Calculation of ionization energy for an alloy

6 votes
1 answer
2k views

Eigen-values not converged, warning in Quantum espresso

6 votes
1 answer
459 views

Case study: KPOINT and band parallelization in Quantum ESPRESSO

6 votes
0 answers
160 views

What will be the cohesive energy of an alloy in LAMMPS? [closed]

5 votes
1 answer
1k views

How to fix local magnetic moment of each ions in VASP?

5 votes
1 answer
1k views

Heating and Quenching simulation in lammps

5 votes
1 answer
217 views

List of software for creating random multi-component alloy inputs for DFT or MD

5 votes
1 answer
193 views

Symmetrization of elastic constants based on rotational symmetry in Pymatgen

3 votes
0 answers
650 views

Practical way to reduce pressure fluctuations in molecular dynamics? [closed]

2 votes
2 answers
149 views

How to run simulation box relaxation with EAM callculator in ASE

2 votes
0 answers
38 views

Different Output from lammps cpu vs gpu

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