Unrestricted calculations with PBC in QMCPAC
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Description
Hi everybody
I'm new at QMCPACK.
I want to use qmcpack to do QMC calculation on transition metal oxid like NiO by using pyscf to generate input file.
I run the pyscf input file for 1st step. (KUHF calculation method)
Now I got an error :
**Unrestricted calculations with PBC not supported (yet) - contact Developers**
I have a 2 questions:
1) How can we define an AFM phase for such materials in qmcpack?
Is it implemented in qmcpack or not?
2) I want to use pseudopotental in HF calculation by PySCF, now my question is :
Do they use the same PseudoPotential ?
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