[Wien] Again "Invalid null command"

Dear WIEN developers, A few times there were messages about "Invalid null command" before every command in scf cycle. It looks like this: Invalid null command. LAPW0 END LAPW1 END LAPW2 END Invalid null command. CORE END Invalid null command. CORE END Invalid null command. MIXER END I se

[Wien] questions about electron density plot

lapw5 uses a linear interpolation/extrapolation of the density between the radial mesh points. For those reasons densities (and even more so differences) at/near the nucleus are NOT reliable. So: Yes, of course the densities in the core region are different in atoms and solids, but I'd use 1-D

[Wien] compile error

Dear Users of WIEN2K; I want to extract Alm,Blm,Clm,alm Coefficients , U(r) and U-dot. I read in mailing list for this work I should check SRC_lapw2/l2main.F and uncomment some write-statements. but I can't compile lapw2 after uncommenting of some write-statements that calculate these qua

[Wien] Again "Invalid null command"

I don't know this specific problem, but I do know that (unfortunately) unix shell scripts often don't obey a standard the same way that Fortran does (C also is not always so standard). On Sat, Feb 23, 2008 at 9:06 AM, Lyudmila Dobysheva wrote: > Dear WIEN developers, > > A few times there were