[Wien] problem in WIEN2k v11 installation

An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120505/7986156b/attachment.htm>

[Wien] how to convert the case.struct to a CIF file?

I meant "x struct2cif" (not a double t) On Sat, May 5, 2012 at 8:00 PM, Laurence Marks wrote: > "x sttruct2cif" > > On Sat, May 5, 2012 at 7:49 PM, Zhou Bing wrote: >> Dear all, >> >> I finished the optimization and obtained the new optimized structure, how >> can I convert this structure to th

[Wien] how to convert the case.struct to a CIF file?

"x sttruct2cif" On Sat, May 5, 2012 at 7:49 PM, Zhou Bing wrote: > Dear all, > > I finished the optimization and obtained the new optimized structure, how > can I convert this structure to the corresponding CIF format? > > Thank you in advance! > > Best wishes, > > Bing > > > -- Professor Lau

[Wien] Please help for AFM calculation

one help me to identify where I did mistake and how I have to generate the case.struct_supergroup. I will be very thankful and glad to you. Thanks in advance -- M. P. Ghimire -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120505/e7fe4aac/attachment.htm>

[Wien] problem in WIEN2k v11 installation

man/listinfo/wien -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120505/04574333/attachment.htm>

[Wien] Please help for AFM calculation

> I am trying to perform the AFM calculations on iridate compounds a > number of times by following the faq provided in > http://www.wien2k.at/reg_user/faq/afm.html. Mind the 'or' at the end of step 5. The most straightforward procedure is to go up to step 5 only (i.e. use runsp_lapw, not

[Wien] Error in Lapw1 . Need Help

000E+000 -8.726802882126319E-003 tauwrong= -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120505/492bcf9b/attachment.htm>