[CPMD-list] VDW / molecular crystals !!

[Belabbas Imad]

Dear CPMD users,

I am currently trying to perform  calculations with Van der Waals correction on some molecular crystals.

I am just wondering if the VDW correction is implemented in CPMD for crystals (Where the point group is fixed and multiple k-points sampling is involved !!!) ???

I have done some tests on molecules (Wave function optimization ) and at the end when the energy decomposition is given, no explicit value is given for the VDW contribution !!??? is it normal ?

Thank you in advance,
Imad


             
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