[Pw_forum] Errors in PW.x calculation

[John B Burdette]

i.e. d(K-O) < sqrt(3)*5.00/2*0.529177 = 2.3 A. Note that
this distance should be larger than the sum of the "core 
radii"
of the pseudopotentials. Is it?

The sum of the "core radii" equals 0.237 A.
Also, by K with one extra electron, I meant K with one less 
electron.  My mistake on that one.  Even so, any idea why I 
might not be getting a parabola for the energy curve?  I can 
send you the pseudopotentials Paolo if you so wish.

Best regards,

John Burdette