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
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