-
I have noticed that there are no parsers for standard data obtained from excited-state calculations.
Relevant information concerning this topic are all the quantities from:
1. Set of excited states …
-
Hello!
I've recently been trying to work with XAS data from the Materials Project and stumbled across a potential issue/point of confusion when comparing materials between MP docs and XAS docs. I p…
-
Hey! Thank you for supporting your publication with the code and in an easily accessible manner, to boot. I followed the installation instructions in the readme, and it seems everything was installed …
-
-
-
-
@newville I have just realized that is not currently possible in xas_viewer to load a `k, chi` file and perform EXAFS analysis on it. I think this is a strong limitation and we should take action to s…
-
Could we add CLSI XASDB https://xasdb.lightsource.ca/ to the list of available XAS databases.
Thank you in advance!
-
I've been looking at the new temporary "long" ARG, in which there are samples belonging to 24 Pango X categories, as clsssified by Viridian (chance sampling means these are not quite the same as the 3…
-
When attempting to save LCF results as "Save Statistics Report for All Fitted Groups" for multiple datasets, the resulting CSV does not contain the appropriate components and/or contributions; it seem…