Ph Symmetry labels not correct when Raman active

[mkotiuga]

The symmetry labels are parsed as the last field on lines with '-->' in the ph output:

aiida-quantumespresso/src/aiida_quantumespresso/parsers/parse_raw/ph.py

Line 165 in 5d4a7d9

if '-->' in line:

In cases where the mode is Raman active (thus the last field is "R" or "I+R" - if both Raman and IR active), the R/I+R label is kept and not the point symmetry label - Only the IR only case is treated. Note the "R" and "I" labels are only relevant for gamma point calcuations.

aiida-quantumespresso/src/aiida_quantumespresso/parsers/parse_raw/ph.py

Line 169 in 5d4a7d9

if line.split()[-1] == 'I':

I suggest is just better to keep everything after the '-->' as it is all information related to the symmetry (labels in different conventions) so different users may have different preferences. i.e. something like:

symm_label = line.split('-->')[-1]
replacing L169-172

running the following pw.in and ph.in should produce a system with R and I+R labels at gamma (the SSSP - with the updated Barium should be OK)
ph.in.txt
pw.in.txt

[mbercx]

Thanks @mkotiuga! I'll try to fix this asap.