EXAFS

From FEFF

Standard

EXAFS [xkmax]

EXAFS is the default type of spectroscopy. As such, the card may in principle be omitted, though it is good practice to always explicitly set the spectroscopy type being calculated. The EXAFS card sets the maximum value of k for EXAFS calculations. k is set by xkmax, and the default value is 20 Å−1. The code can calculate higher values, however the user will be prompted to increase compilation time dimension settings and recompile the code. For high k calculations it might be necessary to make smaller steps using the RGRID card.

*make EXAFS calculation up to k=25 Angstroms^-1
 EXAFS 25
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