xcart in tutorial 4

Total energy, geometry optimization, DFT+U, spin....

Moderator: bguster

Locked
abitin
Posts: 1
Joined: Fri Dec 17, 2010 4:39 pm

xcart in tutorial 4

Post by abitin » Tue Dec 28, 2010 9:01 am

dear abinit users

how to find xcart for the case of study of the surface energy : increasing the number of aluminum layers

what is the method to get the values of xcart in t47.in

best regards .

Locked