[Wien] Error in generating case.in1_nmr file

Dear Prof. Blaha, I am able to do the scf and DOS and band-structure calculations correctly but my NMR calculations using "x_nmr_lapw -mode in1" kept giving me the following error : " EXECUTING: /home/nader/Downloads/Wien2k/nmr -case test2 -mode in1 -nodes 8 -green -ovlpmax 0.4 forrtl:

Re: [Wien] Need help to generate unit cell for semiconductor heterostructure

Dear Developers and Users, I need your help to generate unit cell of a semiconductor structure of two layers of different materials. Any hint is highly appreciated. Your question is not clear... There are many possibilities Do you want to put two layers?

[Wien] Need help to generate unit cell for semiconductor heterostructure

Dear Developers and Users, I need your help to generate unit cell of a semiconductor structure of two layers of different materials. Any hint is highly appreciated. Thanks a lot for your time. With kind regards. Lawal ___ Wien mailing list