Dear developers,
I was wondering if current version of HP code (to calculate U correction) can be used for the materials where dispersion corrections (like D3) is used. In the past, I calculated U correction in MOFs (with D3) using old version PW/HP (6.7 version) with no problems. Now, for different material (ferromagnetic metal) I tried the procedure and HP code died after reading data with segmentation fault after printing D3 information. If I don't use DFT-D3, it works. This is for 7.1 version. I tried different machines and the same problem persists.
Is it a bug?
Thank you,
Sergey
Research Professor,
University of South Florida
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