mirror of https://github.com/abinit/abinit.git
16 lines
756 B
Markdown
16 lines
756 B
Markdown
# Information about the pseudopotentials in this directory
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These pseudopotentials have the same characteristics:
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* Same pseudopotential generator (GTH, see Phys. Rev. B 54, 1703 (1996))
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* Same pseudopotential format (pspcod 2)
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* Same exchange-correlation functional (pspxc 1 , Perdew-Wang parameterized by Teter)
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They can also be found at the page https://www.abinit.org/sites/default/files/PrevAtomicData/psp-links/hgh.html
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WARNING : BigDFT try to read an additional line giving rcutoff and rloc, present in some pseudopotentials.
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If such a line exist after the value defined by lmax, but does NOT contain proper rcutoff and rloc (e.g. 0.0), BigDFT might fail by hanging
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or SEGFAULT, without giving proper error message. This is difficult to debug.
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