Hi, I would suggest to first try your own generated pseudo-potentials to have a better control over your calculations.
ATOM code in siesta doesn't generate psedopotentials with multiple projectors. To add addition projector corresponding to a specific state, you have to use KB projectors flag (if i remember correctly) in your .fdf input file. Please see the manual. Good Luck. S. Kumar IITD On Thu, Dec 15, 2011 at 7:32 AM, aqingchen <[email protected]> wrote: > Hi, everbody, > When I use the pseudoptentials file from the ( > http://www.icmab.es/dmmis/leem/siesta/Pseudopotentials/periodictable-intro.html) > to calculate some cases. But some errors come up as follows: > > GHOST: No ghost state for L = 3 > KBgen: WARNING: Ghost states have been detected > KBgen: WARNING: Some parameter should be changed in the > KBgen: WARNING: pseudopotential generation procedure. > ERROR STOP from Node: 0 > > how to solve this problem? please give me some suggestions ! > Thank you ! >
