[CPMD-list] external potential

[Franz Deller]

Hi,

Is EXTERNAL POTENTIAL option working?
There is no documentation in the manual, so I looked
at the source code. It seems I cannot use ascii file, but on the other hand 
I am not quite sure how to create correct binary file.

Please - give me some hints.

I have my external potential grid in 4 column ascii X,Y,Z,PHI.

X,Y,Z  are  in the coordinate system which is used
to define atom coordinates in the input.

PHI is electrostatic potential in units kT/e

How to transform this file so that it can be used
for the simulation?

Thanks

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