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Hi, I was told that: CPU Time (in hours)=Total Elapsed Time/Number of Cores Elapsed Time (in hours)= Elapsed Time=Total Elapsed Time which means I should expect the CPU time to be less than the...
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Say I have 2 optimised clusters; Cluster 1 and Cluster 2. Cluster 1 has 5 atoms (A,B,C,D,E) = Movable cluster Cluster 2 has 5 atoms (F,G,H,I,J) = Fixed cluster I want to set the whole Cluster 1...
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In a neutron diffraction experiment, how will the S(Q) look for strong absorbing atoms? Will it only affect low-Q range, high-Q range, or it will just shift the whole baseline downward at a...
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