[CP2K:3147] units of E_DENSITY_CUBE

Campomanes Ramos Pablo pablo.ca... at epfl.ch
Thu Mar 17 22:19:19 CET 2011


Dear Claudio,

if other units are not specified in the input reference, atomic units are used.

Regards,
Pablo.

________________________________________
From: cp... at googlegroups.com [cp... at googlegroups.com] on behalf of Claudio [marg... at gmail.com]
Sent: Thursday, March 17, 2011 9:40 PM
To: cp2k
Subject: [CP2K:3147] units of E_DENSITY_CUBE

Dear all, I can't find in the manual what the units are for the
electronic density in the cube file. Is it electrons/A^3, if not how
do I tell from output or specify this on input?

Thanks,
Claudio

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