Update KKRSusc Quickstart Guide authored by Raffaele Aliberti's avatar Raffaele Aliberti
...@@ -2,6 +2,7 @@ ...@@ -2,6 +2,7 @@
title: KKRSusc Quickstart Guide title: KKRSusc Quickstart Guide
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# Perform a KKRsusc calculation # Perform a KKRsusc calculation
In order to investigate spin-excitations via the KKRsusc program please In order to investigate spin-excitations via the KKRsusc program please
...@@ -43,7 +44,7 @@ and step 5 is finally performed with the KKRsusc program itself. ...@@ -43,7 +44,7 @@ and step 5 is finally performed with the KKRsusc program itself.
### Serial Run ### Serial Run
- For this run set `lhdio=F` and 'lrestart=T'. Use one core for the calculation, with a large amount of memory (usually more than 100Gb). - For this run set `lhdio=F` and `lrestart=T`. Use one core for the calculation, with a large amount of memory (usually more than 100Gb).
- In the output, check if the physical quantities agree with the results from the impurity run (ie. spin moment, charge etc). A small difference of ~1% is to be expected. The files containing the susceptibility information are `ia*.chif`, `ia*.chid`, `ia*.chi0`. - In the output, check if the physical quantities agree with the results from the impurity run (ie. spin moment, charge etc). A small difference of ~1% is to be expected. The files containing the susceptibility information are `ia*.chif`, `ia*.chid`, `ia*.chi0`.
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