can i use 90 atom by abinit?

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

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mina
Posts: 110
Joined: Mon Sep 27, 2010 8:44 am

can i use 90 atom by abinit?

Post by mina » Sat Oct 30, 2010 12:34 pm

Hello,
Thankyou for your helping,i use 'vesta 'to plot my figour.i use three wyckoff and plot it exactly.but when i asked for xangst i get 90 xangst,now what i have to do?i have to use 90 xangst in abinit?plaese answer me.
thankyou.

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