[Wien] About case.xsf

[John Rundgren]

Dear Professor Blaha et al,

Looking, for instance, at Fe3O4.xsf or V2O5.xsf, one finds that the
PRIMCOORD and CONVCOORD values mostly point substantially outside their
repective unit cells PRIMVEC and CONVVEC.

I should appreciate having a new w2web routine fulfilling the condition
that PRIMVEC and CONVVEC lie within their unit cells. If you give the
code, do I have a reasonable chance to insert it in W2k immediately?
Best regards,
John

-- 
Dr John Rundgren                        phone 46-8-5537 8171
Theoretical Physics                     fax   46-8-5537 8216
Royal Inst. of Technology (KTH),        mailto:jru at kth.se
AlbaNova, SE-10691 Stockholm, Sweden    http://theophys.kth.se/~jru