[QE-users] ibrav = -12 xml error

[Tom Demeyere]

Dear users,

I get this message in stderr:

ERROR(FoX)
xml_AddAttribute: Invalid character in value

When using ibrav = -12

The message appear at the end of the first scf cycle and the calculation is not killed but stuck on:

     "Writing config-only to output data dir ./pwscf.save/“

This does not occur with ibrav = 0 and specifying CELL_PARAMETERS. Or maybe I am doing something wrong.

ibrav            = -12
a = 12.44302  b = 7.27290  c =11.38087  
cosAC = -0.18333887

-----------------------------------------
Tom Demeyere MSc
PhD student
School of Chemistry, University of Southampton