No subject
Sun Aug 24 10:11:18 CEST 2008
Archives=2C I learned ultrasoft PPs may not be desirable for ELF analysi=
s due to small
amount of electron density loss from augmentation charges=2E
So=2C I am wondering whether
or not using USPPs is a safe choice for direct space analysis associated=
with spin
polarization density=2E
Best regards=2CSang-Hwan Kim (postdoc)
Department of Chemistry
University of Houston
136 Fleming Building
Houston=2C TX 77204-5003
--Boundary_(ID_He1tyKgEBEwteNaTLSMGHw)
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=3Cp class=3D=22MsoNormal=22=3E=3Cspan style=3D=22=22=3EDear users and
developers=2C=3Co=3Ap=3E=3C/o=3Ap=3E=3C/span=3E=3C/p=3E
=3Cp class=3D=22MsoNormal=22=3E=3Cspan style=3D=22=22=3EFrom the Pw=5Ffo=
rum
Archives=2C I learned ultrasoft PPs may not be desirable for ELF analysi=
s due to small
amount of electron density loss from augmentation charges=2E=3Co=3Ap=3E=3C=
/o=3Ap=3E=3C/span=3E=3C/p=3E
=3Cp class=3D=22MsoNormal=22=3E=3Cspan style=3D=22=22=3ESo=2C I am wonde=
ring whether
or not using USPPs is a safe choice for direct space analysis associated=
with spin
polarization density=2E=3C/span=3E=3C/p=3E=3Cp class=3D=22MsoNormal=22=3E=
=3Cbr=3E=3Cspan style=3D=22=22=3E=3C/span=3E=3C/p=3E=3Cp class=3D=22MsoN=
ormal=22=3E=3Cspan style=3D=22=22=3EBest regards=2C=3C/span=3E=3C/p=3E=3C=
p class=3D=22MsoNormal=22=3E=3Cspan style=3D=22=22=3ESang-Hwan Kim (post=
doc)=3Cbr=3E=3C/span=3E=3C/p=3E=3Cp class=3D=22MsoNormal=22=3E=3C/p=3E=3C=
BR=3E=3CBR=3EDepartment of Chemistry=3Cbr=3EUniversity of Houston=3Cbr=3E=
136 Fleming Building=3Cbr=3EHouston=2C TX 77204-5003=3C/BR=3E=3C/BR=3E
--Boundary_(ID_He1tyKgEBEwteNaTLSMGHw)--
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