[CPMD-list] ELF-CPMD-WFN

[Ivan Ivanov]

Hi,

I want to do topological analysis of ELF.

I am using TOPMOD packgae which requires 
Gaussian type WFN format (not CUBE).

So -what is the way to output the wavefunction 
in WFN format in a CPMD run?

Otherwise I cannot do topological analysis of ELF
with TOPMOD(just visualization due to Axel's great
resource)


Thanks


 




	
		
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