[Pw_forum] Wrong ELF values

Giovanni La Penna glapenna at iccom.cnr.it
Thu Feb 10 08:55:43 CET 2011

On Wed, 9 Feb 2011, Claudia Loyola wrote:
> first I obtained: [-0.2092:1.2504]  and now [-0.1951:0.981], I ran the same
> scf and elf input file, but in different machines.
> The range is the "thermometer" that shows xcrysden?, right? maybe I am
> missing something... :(

Please, check the data in the file (pp or cube), because
the range provided by visualization packages is due to interpolations.


Giovanni La Penna - National research council (Cnr)
Institute for chemistry of organo-metallic compounds (Iccom)
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