Matter Modeling
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Atom
  • Member for 2 years, 10 months
  • Last seen more than a week ago
  • Trento, Trentino, Italy
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Score Newest
question
11
How can I properly attach ligands to a surface?
Jan 27, 2021
question
10
Is Wannier 90 computationally expensive to run?
Feb 11, 2021
question
10
How can I calculate the J value in an antiferromagnetic material?
Apr 8, 2021
question
9
Can we consider SOC in FM materials using QE?
Jan 27, 2021
question
9
Should I use a lower threshold for calculations involving SOC?
Jan 23, 2021
question
8
Band unfolding for magnetic systems [closed]
Apr 30, 2021
question
8
How do I interpret the Gaussian16 wavefunction file?
Feb 15, 2021
question
6
How can I properly represent paramagnetic materials in DFT calculations?
Jan 19, 2021
question
5
Is there a way I could calculate the pressure and use SOC at the same time? [closed]
Jan 22, 2021
question
5
How can I calculate and plot the molecular orbitals (MO's) from the Gaussian wavefunction file? [closed]
Feb 16, 2021

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