MCTDH-X forum

MCTDH-X Usage => Main Program Usage => Topic started by: chrisapo on January 20, 2020, 01:31:45 PM

Title: Is it possible to implement PBC?
Post by: chrisapo on January 20, 2020, 01:31:45 PM

Like the subject says, is there a way to implement Periodic Boundary Conditions, at least in 1D? Or is it a feature yet to come?
Just wondering.

Title: Re: Is it possible to implement PBC?
Post by: mctdhb on January 23, 2020, 10:20:31 AM

Hi chrisapo,

the boundary conditions in our code depend on the discrete variable representation  (Inputs

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DVR_X,DVR_Y,DVR_Z) that you select in the

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MCTDHX.inp .

The most efficient choice to have periodic boundary conditions is to set these inputs to "4", i.e.,

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DVR_X=4
DVR_Y=4
DVR_Z=4

This is actually the default setting.

Hope that helps,
Axel