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QuantumATK => General Questions and Answers => Topic started by: sabyaphy12@gmail.com on January 8, 2021, 06:44

Title: error in estimating thermoelectic coefficient through script file
Post by: sabyaphy12@gmail.com on January 8, 2021, 06:44

While giving thermoelectic property calculation run following error is showing, kindly help 

+------------------------------------------------------------------------------+
|                                                                              |
| QuantumATK P-2019.03-SP1[Build 3dc0d78]                                      |
|                                                                              |
+------------------------------------------------------------------------------+
Traceback (most recent call last):
  File "seebeck_coefficient1.py", line 120, in <module>
    transmission_spectrum = nlread(nc, 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_coefficient1.py", line 122, in <module>
    raise IOError('The specified NC file does not exist, or does not contain a transmission spectrum.')
OSError: The specified NC file does not exist, or does not contain a transmission spectrum.

Timing:                          Total     Per Step        %

Title: Re: error in estimating thermoelectic coefficient through script file
Post by: Petr Khomyakov on January 8, 2021, 11:18

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