Hi Jason,
Yes: that pseudo for K cannot be used by Siesta because of the
ghost states :-( .
You might try generating your own using the ATOM utility, for
instance, by changing a bit some of the cutoff radii in the original
K.inp file.
Also check the Octopus page at
http://www,tddft.org/programs/octopus/wiki/index.php/Pseudopotentials
They offer an on-line tool that generates pseudos in Siesta's format.
Good luck,
Roberto
On Wed, 22 Aug 2012, Jason Seol wrote:
Snipped
...
And so on . however, for "K",
...
GHOST: No ghost state for L = 0
GHOST: WARNING: Ghost state for L = 1
KBgen: WARNING: Ghost states have been detected
KBgen: WARNING: Some parameter should be changed in the
KBgen: WARNING: pseudopotential generation procedure.
What's the reason for this? Am I using some a wrong PSF? Please help me out.
Thanks in advance.
...
