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