[Wien] ,IRelast: incorrect structure for e=0.3 in C44 for TiO2

[m_jamal57 at yahoo.com]

I think your calculations for e=0 have not converged very well (-ec 0.0001 -cc 0.01).

Please send your data( Sty*.struct, Sty*.scf, original struct files) as a tar and zip files till check them (m_jamal57 at yahoo.com)

Please see:
http://wien2k.at/reg_user/unsupported/bad-point.mkv

http://wien2k.at/reg_user/unsupported/bad-point-2022.mkv

With best,
Morteza