Matter Modeling
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Atom
  • Member for 2 years, 10 months
  • Last seen this week
  • Trento, Trentino, Italy
Profile Activity

11 Questions

Score Activity Newest Views
11 votes
1 answer
85 views

How can I properly attach ligands to a surface?

10 votes
1 answer
236 views

Is Wannier 90 computationally expensive to run?

10 votes
1 answer
347 views

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

9 votes
2 answers
549 views

Can we consider SOC in FM materials using QE?

9 votes
1 answer
455 views

Should I use a lower threshold for calculations involving SOC?

8 votes
0 answers
83 views

Band unfolding for magnetic systems [closed]

8 votes
2 answers
521 views

How do I interpret the Gaussian16 wavefunction file?

6 votes
1 answer
542 views

How can I properly represent paramagnetic materials in DFT calculations?

5 votes
0 answers
116 views

Is there a way I could calculate the pressure and use SOC at the same time? [closed]

5 votes
0 answers
498 views

How can I calculate and plot the molecular orbitals (MO's) from the Gaussian wavefunction file? [closed]

4 votes
1 answer
129 views

List of properties of molecules categorized by the number of atoms?

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