[QE-users] error in Electron localization function and charge density minus superposition of atomic densities

[Paolo Giannozzi]

On Sat, Sep 21, 2019 at 2:33 PM LEUNG Clarence <liangxy123 at hotmail.com>
wrote:

>
>      Message from routine chdens:
>      namelist plot not found or invalid, exiting
>

seems clear to me: there is something wrong in the namelist &plot and the
entire plotting code is skipped

&PLOT
>    nfile=1,
>    iflag=3,
>    output_format=5,
>    fileout='unit-elf.xsf'
>    weight(1)=1.0,
>    filepp(1)='unit.dat',
>

there must be a backslash at the end

Paolo
-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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