[Pw_forum] cell_factor ignored in vc-relax

Paolo Giannozzi p.giannozzi at gmail.com
Wed Apr 5 11:26:37 CEST 2017


Apologies for the previous email containing 0 bits of new information

On Wed, Apr 5, 2017 at 10:36 AM, Marco Di Gennaro

> Even though the cell_factor variable is imposed, I get a suspicious message:
> "Warning: card     CELL_FACTOR  = 2 ignored"

> &cell/
>     cell_factor  = 2

"&cell" = "beginning of namelist cell" ; "/" = "end of namelist"
So "cell_factor" is outside the namelist. Correct syntax:
&cell cell_factor  = 2 /
or any variant respecting the syntax of namelists, e.g.
&cell
   cell_factor  = 2
 /

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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