[Wien] amorphous binary rare-earth transition metal alloys

Dear Professors Gavin Thank you very much for such a rich and fruitful advice regarding Amorphous rare earth in addition the 4-f compounds in general is very deep task and we need as you advice a high computational resource to our powerful Wien2k software . I appreciate your

Re: [Wien] amorphous binary rare-earth transition metal alloys

Here are my two cents: Amorphous structures is an advanced topic, but not impossible. Our group has calculated the electronic structure of amorphous Se in the past with WIEN2k (https://olegrubel.mcmaster.ca/publications/2012/Darbandi_JPCM_24_2012.pdf), but we had to construct the structural

Re: [Wien] amorphous binary rare-earth transition metal alloys

*Short answer* The WIEN2k webpage has the sentence [1]: /The linearized augmented plane wave (LAPW) method is among the most accurate methods for performing electronic *structure calculations for crystals*./ Amorphous is defined in [2] as non-crystalline and in [3] it means "shapeless" and

[Wien] amorphous binary rare-earth transition metal alloys

Dear Wien2k experts and users I would like to ask your kind help to clarify the following question to me. We are interested in calculating some physical properties of amorphous binary rare-earth transition metal alloys e.g. GdxCo1-x , for example Gd0.16Co 0.84 using Wien2k code. Is there a