Differences

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--- faq:hfx_eps_warning [2016/01/22 11:54] – [What should I do when I see this warning message] ltong
+++ faq:hfx_eps_warning [2016/01/22 12:43] – [What is the EPS_FILTER_MATRIX] ltong
@@ Line 1: / Line 1: @@
-====== I received a warning message about the Kohn Sham matrix not 100% occupied when doing Hartree-Fock calculations, what is going on, and what should I do?  ======
+====== I received a warning message about the Kohn Sham matrix not 100% occupied when doing Hartree-Fock or hybrid calculations, what is going on, and what should I do?  ======
 When you do a calculation that involves the calculation of the Hartree-Fock exchange (e.g. calculations with hybrid functionals, including using the ADMM method), you may occasionally encounter the following warning message (more often if ADMM is used):
@@ Line 26: / Line 26: @@
 ===== What is the EPS_FILTER_MATRIX =====
-On top of KS matrix having sparse pattern of the overlap matrix, if ''EPS_FILTER_MATRIX'' not zero, then a filtering process is performed so that any atomic blocks in the KS matrix having all elements with their absolute values less than ''EPS_FILTER_MATRIX'' is then removed from the KS matrix.
+On top of KS matrix having sparse pattern of the overlap matrix, if ''EPS_FILTER_MATRIX'' is not zero, then a filtering process is performed so that any atomic blocks in the KS matrix having all elements with their absolute values less than ''EPS_FILTER_MATRIX'' is then removed from the KS matrix.
 The default value of ''EPS_FILTER_MATRIX'' is zero, so this extra filter step is not used unless specified by the user.