Screening vs. Susceptibility

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JEJohns
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Joined: Sun May 02, 2010 5:30 pm

Screening vs. Susceptibility

Post by JEJohns » Wed Jan 12, 2011 4:47 pm

I have a question about calculating the self energy with either the screening (getscr) or the susceptibility (getsuscep). It seems like these two should be contain the same information, and that doing a sigma calculation with either should be identical. However, in the test files, test t83.in, does a chained KSS run, then a screening calculation with truncated coulomb interaction (using icutcoul), then does a sigma calculation using Rozzi & Beigi's methods starting from the susceptibility and a sigma calculation starting from the SCR file. Is the it correct that the SCR file always contains the bare coulomb interaction, and that the sigma calculations need to be started from the susceptibility files in order to employ this method? The input variables section for icutcoul makes no mention of this. Thanks for any clarification you could offer,
--James

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