Differences

This shows you the differences between two versions of the page.

--- howto:converging_cutoff [2015/12/04 17:44] – use special INP-links oschuett
+++ howto:converging_cutoff [2020/08/21 10:15] (current) – external edit 127.0.0.1
@@ Line 27: / Line 27: @@
 ==== ''QUICKSTEP'' Multi-Grid ====
-Before we go through the input file, it is worth while to explain
+Before we go through the input file, it is worthwhile to explain
 how the multi-grid is constructed in ''QUICKSTEP'', and how the
 Gaussians are mapped onto the different grid levels. Hopefully this
-will offer the reader with a clear picture of how the key control
+will offer the reader a clear picture of how the key control
 parameters affect the grids, and thus the overall accuracy of a
 calculation.
@@ Line 67: / Line 67: @@
 Therefore, the two most important keywords effecting the
 integration grid and the accuracy of a calculation are [[inp>FORCE_EVAL/DFT/MGRID#CUTOFF|CUTOFF]] and
-[[inp>FORCE_EVAL/DFT/MGRID#REL_CUTOFF|REL_CUTFF]]. If [[inp>FORCE_EVAL/DFT/MGRID#CUTOFF|CUTOFF]] is too low, then all grids will be coarse
+[[inp>FORCE_EVAL/DFT/MGRID#REL_CUTOFF|REL_CUTOFF]]. If [[inp>FORCE_EVAL/DFT/MGRID#CUTOFF|CUTOFF]] is too low, then all grids will be coarse
 and the calculation may become inaccurate; and if ''REL_CUTOFF'' is
 too low, then even if you have a high [[inp>FORCE_EVAL/DFT/MGRID#CUTOFF|CUTOFF]], all Gaussians will