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Michael F. Herbst's user avatar
Michael F. Herbst's user avatar
Michael F. Herbst's user avatar
Michael F. Herbst
  • Member for 4 years, 1 month
  • Last seen more than 1 year ago
36 votes
Accepted

How is Julia used in matter modeling?

23 votes

What are the freely available crystal-structure visualization softwares?

18 votes

State of the art in computational materials design

16 votes

How to identify a semi-metal from the band structure?

14 votes

Do eigenvalues in DFT mean anything?

12 votes
Accepted

How does a complete basis set remove Pulay forces/stress?

12 votes

What are the core numerical routines used in density functional theory?

12 votes

What is the status of graphics processing units in plane-wave DFT?

10 votes
Accepted

How is the material $\ce{\alpha-NaMnO2}$ pronounced?

9 votes

Why is Q-Chem producing a parallel efficiency greater than 1?

7 votes
Accepted

Convergence by energy and/or density?