This shows you the differences between two versions of the page.
Both sides previous revision Previous revision Next revision | Previous revision | ||
faq:common_mistakes [2014/02/25 10:37] oschuett |
faq:common_mistakes [2020/08/21 10:15] (current) |
||
---|---|---|---|
Line 2: | Line 2: | ||
Common mistakes are: | Common mistakes are: | ||
- | - '' | + | - '' |
- SCF cycle not converged. | - SCF cycle not converged. | ||
- Cell too small. Keep in mind that CP2K does **not** have k-point sampling. | - Cell too small. Keep in mind that CP2K does **not** have k-point sampling. | ||
+ | - atoms missing / wrong coordinates : visualize your geometry, including periodic images | ||