[Pw_forum] error in Wyckoff positions

[Magdalena Birowska]

Dear QE users;

I am trying to define the positions of atoms by used of the Wyckoff
positions.
Part of my input file concerning the topic is as follows:











* ibrav = 0 , A = 1, space_group = 64 ,CELL_PARAMETERS {alat}
3.298193909       0.0000000000       0.0000000000     0.0000000000
10.119663752       0.0000000000     0.0000000000       0.0000000000
4.120911577ATOMIC_SPECIESP  30.97 P.pz-hgh.UPFATOMIC_POSITIONS
{crystal_sg} P 8f 0.000000 0.101300 0.078900*

According to the manual when atomic positions are of the type crystal_sg
have the form "C 48n x y z ",
therefore I do not really understand the error mesage:
     Error in routine read_cards (2):
     wrong number of columns in ATOMIC_POSITIONS

Could anybody help me?
 Magda Birowska
-- 

*Magdalena Popielska (Birowska)*


*Faculty of Physics*


*University of Warsaw*

*ul. Pasteura 5, PL-02-093 Warszawa room no. 5.02*

*Phone: 22 55 32902 (Office)*
*Email: Magdalena.Birowska at fuw.edu.pl <Magdalena.Birowska at fuw.edu.pl>*
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20170626/020adf68/attachment.html>