[Re:08] how to calculate LMD energy

Posted on : March 31, 2017 (Fri) 08:14:42

by Karima

Hello Hitoshi,

I used the configuration;
../data/KMnF3 1 2 3
../data/KMnF3_LMD 1 2 -2 3
but I found a negative Curie temperature although the material is ferromagnetic (ELMD<EFerro)