diff --git a/src/aiida_quantumespresso/parsers/parse_raw/pw.py b/src/aiida_quantumespresso/parsers/parse_raw/pw.py index 453642ace..25d602347 100644 --- a/src/aiida_quantumespresso/parsers/parse_raw/pw.py +++ b/src/aiida_quantumespresso/parsers/parse_raw/pw.py @@ -513,7 +513,10 @@ def parse_stdout(stdout, input_parameters, parser_options=None, parsed_xml=None, # (cell, initial positions, kpoints, ...) and I skip them. # In case, parse for them before this point. # Put everything in a trajectory_data dictionary - relax_steps = stdout.split('Self-consistent Calculation')[1:] + if 'Self-consistent Calculation' in stdout: + relax_steps = stdout.split('Self-consistent Calculation')[1:] + elif 'running SCF ground state' in stdout: # SIRIUS + relax_steps = stdout.split('running SCF ground state')[1:] relax_steps = [i.split('\n') for i in relax_steps] # now I create a bunch of arrays for every step.