You would need to modify the code in a bunch of places, as currently only 3 letters in total are allowed for the species name. I recommend you just se "Nia" or just invent a new name that suits you.
kind regards On 08/03/2014 04:15 PM, Pang Rui wrote: > Hi,everyone. > In the Input describtion of PW, naming an atom as X_* is allowed. However, > as I test, if X has two letters, an error will occure as followed(take the > attachment as an example) > "Error in routine read_cards (1): > species Ni_a in ATOMIC_POSITIONS is nonexistent" > If I switch Ni to C, the error dissappear. > My question is, how can I make this work if I need to name this way? > Thanks for any suggestion. > Best wishes > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > > -- > Dr. Lorenzo Paulatto > IdR @ IMPMC -- CNRS & Universit? Paris 6 > +33 (0)1 44 275 084 / skype: paulatz > http://www.impmc.upmc.fr/~paulatto/ > 23-24/4?16 Bo?te courrier 115, 4 place Jussieu 75252 Paris C?dex 05 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140804/663b6770/attachment.html
