How to input crystal with more than 8 atoms in the unit cell
I'm trying to input a crystal structure than has 16 atoms per unit cell. Can this program handle more than 8 atoms in the unit cell?
Questions and Answers
The table below shows the current "market value" of the question and estimated amount of points that you can earn, when the question is closed.
| Points Breakdown | points | Details |
|---|---|---|
| * Activity points are calculated based on summing up the weighted number of answers, recommendations and answer votes. Read further details. | ||
| Activity* | 37 | |
| Bonus | 0 | |
| Total market value | 37 | total |
| Asker will earn | 12 | 1/3 of activity points |
| Asker will pay | 0 | Reward for best answer assigned by asker |
| Best answer may earn | 12 — 25 | Up to 2/3 of activity points plus the bonus |
0 Like 0 Dislike
Gerhard Klimeck @ on
The tool should in principle allow for this capability. Certainly, the NEMO5 that runs the simulations under the hood can do it. The team needs to look at this more carefully. Going forward we will most likely deprecate the read-in option in this specific tool.
Reply Report abuse
Please login to answer the question.