FOLP

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FOLP ipot folp 

The FOLP card sets a parameter which determines by what factor the muffin-tin radii are overlapped. We recommend that the AFOLP card be used (default overlap = 1.15) in cases with severe anisotropy. FOLP should be used with caution, for example, for hydrogen or for fitting AXAFS. Typically only values larger than 1 and less than 1.3 should be used, except for hydrogen atoms, where we recommend the value 0.8. The AFOLP card is ignored when FOLP is used for a particular potential type.

* +20% overlap of muffin tin with unique potential 1
* -20% overlap of muffin tin with unique potential 2
FOLP 1 1.2  * adjust overlap to fit AXAFS
FOLP 2 0.8  * use 0.8 for hydrogen
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