16 Mar
2004
16 Mar
'04
1:32 p.m.
Hello, I have attached an atoms.inp file that causes problems when used with Artemis. Both, Atoms run from within Athena as well as TkAtoms generate a feff.inp file with a wrong POTENTIALS-Card. Subsequently, FEFF will refuse to run, saying that potential number 1 is not used. I tried the same procedure with an older atoms.exe and had no problems. Another bug: TkAtoms allows only to open the space group browser only once. Every further click on "Browse space groups" will have no effect. I use Windows 2000 Pro. Regards, Gerrit