Dear All,
I did a collinear calculation with fully relativistic pseudopotentials OMX-GGA.PBE (script attached) for a FePt system. There seemed to be some error in the output nc file: When I use VNL or nlread command to read in this nc file, the error message showed up:
"The following error was generated during execution of the program: unexpected indent (, line 6) If the message is not clear or the error is caused by VNL itself, please report the issue to QuantumWise, and make sure to include the traceback (click "Show Details...")
Traceback (most recent call last):
File "./zipdir/NL/GUI/MainWindow/LabFloor/LabFloorModel.py", line 234, in load
File "/home/bai_z/QuantumWise/VNL-ATK-2016/lib/python2.7/site-packages/AddOns/ATKNCImporter/ATKNCImporter.py", line 96, in load
data = nlread(filename, object_id=object_id, read_state=read_full)[0]
File "./zipdir/NL/IO/NLSaveUtilities.py", line 422, in nlread
File "./zipdir/NL/ComputerScienceUtilities/Timer.py", line 45, in __call__
File "./zipdir/NL/IO/NLSaveUtilities.py", line 422, in <lambda>
File "./zipdir/NL/CommonConcepts/Configurations/ReadConfigurations.py", line 121, in nlreadBulkConfiguration
File "./zipdir/NL/NanoLanguage/ScopeExecuter.py", line 214, in scope_execute
NLScopeExecutionError: unexpected indent (<string>, line 6)
"
But when I keep everything exactly the same except changing the pseudopotential to FHI-GGA.PBE, such error was eliminated. I am wondering whether there is anything wrong here.
Best,
baizq
