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wienfaq [2014/05/21 11:20] – created daniel | wienfaq [2014/05/21 12:09] – janettate | ||
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====== Ask The Doctor! ====== | ====== Ask The Doctor! ====== | ||
+ | * Q. //When all else fails ... a.k.a. " | ||
+ | Wien is modular - it's the weakness and the strength - and sometimes it just takes too long to figure out which file has been overwritten by what process. | ||
* Q. //How does Wien calculate band structure?// | * Q. //How does Wien calculate band structure?// | ||
Wien2k implements a method called FLAPW (**F**ull potential **L**inearized **A**ugmented **P**lane **W**ave) - actually a specific variant called: APW+LO (APW + **L**ocal **O**rbitals). | Wien2k implements a method called FLAPW (**F**ull potential **L**inearized **A**ugmented **P**lane **W**ave) - actually a specific variant called: APW+LO (APW + **L**ocal **O**rbitals). |