Thank you very much! You really help me a lot. It worked for me. Best wishes!
On Mon, 04 Aug 2014 09:07:58 +0200, Lorenzo Paulatto <lorenzo.paulatto at impmc.upmc.fr> wrote: > 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 -- PostDoc Department of Physics, South University of Science and Technology of China