[QE-users] Nonexistent atom Error in routine read card

[Paolo Giannozzi]

On 2/19/24 11:53, Parvathy Parameswaran wrote:

> Error in routine read_cards (1):
> 
>       species    C in ATOMIC_POSITIONS is nonexistent
> 
> 
> I presume this is a simple syntax issue

the syntax of your file is correct. The error message might be due to 
the presence of CR-LF or of other non-standard characters (tabulators, 
spurious control-something) in the input file

Paolo
-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216