I have installed successfully the Yambopy. When I run the examples in the tutorial directory. I found an error related to PwIn class.
What are the possible reasons and solutions? The python version 3.xxx has been used.
PwIn cannot read QE input file
Moderators: palful, amolina, mbonacci
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Longjun Xiang
- Posts: 34
- Joined: Tue May 07, 2019 9:53 am
PwIn cannot read QE input file
Dear developers:
I have installed successfully the Yambopy. When I run the examples in the tutorial directory. I found an error related to PwIn class.
What are the possible reasons and solutions? The python version 3.xxx has been used.
I have installed successfully the Yambopy. When I run the examples in the tutorial directory. I found an error related to PwIn class.
What are the possible reasons and solutions? The python version 3.xxx has been used.
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Dr. Longjun Xiang
School of Physical Science and Technology, ShanghaiTech University, China
School of Physical Science and Technology, ShanghaiTech University, China
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amolina
- Posts: 135
- Joined: Fri Jul 15, 2011 11:23 am
- Location: Valencia, Spain
- Contact:
Re: PwIn cannot read QE input file
Dear Xiang,
we are updating yambopy and some of the tutorials are not yet ready. In the meantime, try to check the function ~/qepy/pw.py. In this case, if you initialize from a file, try:
qe = PwIn.from_file('mos2.scf')
Cheers
we are updating yambopy and some of the tutorials are not yet ready. In the meantime, try to check the function ~/qepy/pw.py. In this case, if you initialize from a file, try:
qe = PwIn.from_file('mos2.scf')
Cheers
Alejandro Molina-Sánchez
Institute of Materials Science (ICMUV)
University of Valencia, Spain
Institute of Materials Science (ICMUV)
University of Valencia, Spain