Hi,
I am trying to run an Abinit test case v7/t70.in, which implements PAW and GGA (ixc = 11 for dataset 1) and HF exchange (ixc = 40 for dataset 2). However, the code stops running at the beginning of dataset 2. Please find attached the corresponding log file and output file. I'm using the latest version of Abinit (8.4.2). I would like to ask how this issue can be resolved? Does it have to do with the installation such that the computation of Fock exchange with PAW doesn't work? It works fine for Fock exchange with norm-conserving pseudopotential, and LDA with PAW.
Thanks! Any suggestions are greatly appreciated!
Problem running PAW with HF exchange / hybrid functional
Problem running PAW with HF exchange / hybrid functional
- Attachments
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- log-t70.pdf
- Log file
- (121.41 KiB) Downloaded 336 times
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- t70.pdf
- Output file
- (49.35 KiB) Downloaded 325 times
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LeonardFlaherty
- Posts: 1
- Joined: Wed Jan 17, 2018 7:22 am
Re: Problem running PAW with HF exchange / hybrid functional
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clickerheroesgame
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Re: Problem running PAW with HF exchange / hybrid functional
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