Re: [Wien] band structure

I have tried the simple systems and nanolayers, and I calculated the band structure of them but I have never run to this problem. please help me Best regard. 2015-11-22 12:53 GMT+03:30 mitra narimani : > yes I run x lapw2 -p -c -so -band -qtl, run of each step gives much

Re: [Wien] band structure

yes I run x lapw2 -p -c -so -band -qtl, run of each step gives much time for example x lapw1 -up ... and x lapwso ... while DOS of this calculation is carried out very well and the s, p, d and f characters are determined very well. 2015-11-21 23:29 GMT+03:30 mitra narimani