[Wien] force theorem

2011-06-10 Thread Jihoon Park
Dear users, The processes to use the 'force theorem' are (i) converge calculation without s-o (ii) using converged non s-o calculation run lapwso, lapw2up/dn for M along symmetry directions. Anisotropy is then given by differences of [:SUMup + :SUMdn] for M along say [001] and [100]. I

[Wien] Force theorem for MAE

2011-06-06 Thread Jihoon Park
Dear users, The processes to use the 'force theorem' are ** *(i) converge calculation without s-o **(ii) using converged non s-o calculation run lapwso, lapw2up/dn for ** M along symmetry directions. Anisotropy is then given by differences ** of [:SUMup + :SUMdn] for M along say [001] and