[Wien] (no subject)

Dear F.Tran, thank you so much for your useful comment. Shahram -- ?? ??? ?? ??? ??? ??? ?? ? ??? ? ?? ?? ?? ??? ?? ??? ?? ? ?? ??? ? ? ??? *$h at hr@m* -- next part -- An HTML attachment was scrubbed... URL:

[Wien] (no subject)

Dear Wien2k users, can the pressure be controlled in the calculation of elastic constants? i.e. is its value exactly equal to zero ? please help me . Sincerely Yours, Shahram Soleimanpour -- ?? ??? ?? ??? ??? ??? ?? ? ??? ? ?? ?? ?? ??? ?? ??? ?? ? ?? ??? ? ? ??? *$h at

[Wien] x optic error

Dear P.Blaha and Wien2k Users, i want to calculate the optical properties using Wien2k_11. everything is ok, but when i execute 'x optic' commend, the following error has occurred: cat: BaSn.875Mn.symmat_1up: No such file or directory cat: BaSn.875Mn.mommat_1up: No such file or directory cat:

[Wien] elastic properties with MBJ

Dear Wien2k users, How can the elastic properties calculated using the MBJGGA? please help me in this case. Sincerely Yours, Shahram Soleimanpour -- ?? ??? ?? ??? ??? ??? ?? ? ??? ? ?? ?? ?? ??? ?? ??? ?? ? ?? ??? ? ? ??? *$h at hr@m* -- next part