[CPMD-list] WANNIER functions

Christian Krekeler krekeler at mpip-mainz.mpg.de
Tue May 17 12:32:38 CEST 2005


Hi,
I try to calculate the Wannier functions for water and with these the 
dipole moment of water. This property is always too big.
Can someone help me find the mistake?

Regards,
Christian

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