error in estimating thermoelectic coefficient through script file

[sabyaphy12@gmail.com]

+------------------------------------------------------------------------------+
|                                                                              |
| QuantumATK P-2019.03-SP1[Build 3dc0d78]                                      |
|                                                                              |
+------------------------------------------------------------------------------+
Traceback (most recent call last):
  File "seebeck_coefficient2.py", line 120, in <module>
    transmission_spectrum = nlread(hdf5, TransmissionSpectrum)[-1]
  File "zipdir/NL/IO/NLSaveUtilities.py", line 853, in nlread
  File "zipdir/NL/IO/HDF5.py", line 544, in readHDF5
  File "zipdir/NL/IO/HDF5.py", line 623, in readHDF5Group
  File "zipdir/NL/IO/HDF5.py", line 584, in readHDF5Dict
  File "zipdir/NL/IO/HDF5.py", line 656, in readHDF5Group
  File "zipdir/NL/IO/HDF5.py", line 584, in readHDF5Dict
  File "zipdir/NL/IO/HDF5.py", line 623, in readHDF5Group
  File "zipdir/NL/IO/HDF5.py", line 584, in readHDF5Dict
  File "zipdir/NL/IO/HDF5.py", line 659, in readHDF5Group
  File "zipdir/NL/IO/HDF5.py", line 659, in <genexpr>
  File "zipdir/NL/IO/HDF5.py", line 644, in readHDF5Group
  File "zipdir/NL/IO/Serializable.py", line 324, in _fromVersionedData
NL.ComputerScienceUtilities.Exceptions.NLIOError: The data of class AtomicConfiguration has been stored on disk with a newer version of ATK. The serialization version of class AtomicConfiguration is 3, but your ATK version only supports the serialization versions up to 2.

During handling of the above exception, another exception occurred:

Traceback (most recent call last):
  File "seebeck_coefficient2.py", line 122, in <module>
    raise IOError('The specified hdf5 file does not exist, or does not contain a transmission spectrum.')
OSError: The specified hdf5 file does not exist, or does not contain a transmission spectrum.

Timing:                          Total     Per Step        %

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[Petr Khomyakov]

OSError: The specified hdf5 file does not exist, or does not contain a transmission spectrum.

[Anders Blom]

Petr, isn't the real issue this?

NL.ComputerScienceUtilities.Exceptions.NLIOError: The data of class AtomicConfiguration has been stored on disk with a newer version of ATK. The serialization version of class AtomicConfiguration is 3, but your ATK version only supports the serialization versions up to 2.

Seems the hdf5 file is made with a newer version - the files are not forward compatible, meaning a newer file (made with e.g. 2019.12) cannot be opened in an older version (like 2019.03), as seems to be the case here