Printing Wannier properties using CP2K 2.4

JQ gohjin... at gmail.com
Mon Jul 1 12:04:38 CEST 2013


Dear all,

May I check with you that is printing the Wannier related properties (using 
CP2K 2.4, revision number 12829) still the same as in CP2K 2.3? I have used 
the SAME input file (attached) for an energy calculation of a water 
molecule. I manage to get the output files of Wannier related properties 
(HOMO_centers, HOMO_spreads,locHOMO*cube and whks) on my local computer 
(CP2K 2.3, revision number 12343) but not able to do so on a computer 
cluster installed with CP2K 2.4. Thanks. 

Regards,
JQ
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