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faq:common_mistakes

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faq:common_mistakes [2014/02/25 15:13]
vondele
faq:common_mistakes [2014/02/25 20:12] (current)
oschuett
Line 2: Line 2:
  
 Common mistakes are: Common mistakes are:
-  - ''​CUTOFF''​ not converged. Anything below 200 is almost certainly too low. [[converging_cutoff|Test the convergence explicitly]].+  - ''​CUTOFF''​ not converged. Anything below 200 is almost certainly too low. [[howto:converging_cutoff|Test the convergence explicitly]].
   - 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   - atoms missing / wrong coordinates : visualize your geometry, including periodic images
  
faq/common_mistakes.txt ยท Last modified: 2014/02/25 20:12 by oschuett