[Wien] on-site hybrid functionals
Peter Blaha
peter.blaha at tuwien.ac.at
Wed Aug 5 09:24:38 CEST 2026
#runsp_lapw -p -orb -so -ec 0.00001 -cc 0.0001 -i 2
#runsp_lapw -p -eece -so -ec 0.00001 -cc 0.0001 -i 1
runeece_lapw -p -eece -so -ec 0.00001 -cc 0.0001
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No, you cannot run runeece manually.
runsp -eece -so ... will call runeece internally.
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Peter Blaha, Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
Email: peter.blaha at tuwien.ac.at
WWW: http://www.imc.tuwien.ac.at WIEN2k: http://www.wien2k.at
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