On Fri, 2013-12-13 at 12:10 -0500, Manu Hegde wrote: > Hello, > > I am just trying to run pw.x on PWgui, I am successfully inserted all > the parameters, but when I run the program it is saying ' Error in > routine set sym_bl (1): some problem with symmetries'. Can any one > please help me in fixing it.
see here: http://qe-forge.org/pipermail/pw_forum/2013-February/101018.html and if this is not your case, go into the fortran code and figure out why the code finds more than 24 symmetry operations. Since you did not provide any of the needed info (an input file, code version, tests etc: you didn't read the posting guidelines, did you?) you do not deserve more help than this P. -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
