TOTEN dependence
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TAT
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TOTEN dependence
the units of TOTEN is eV/cell, so what does the TOTEN depend on volume of the cell or the no. of atoms in the cell?
Last edited by TAT on Thu Aug 02, 2007 7:52 pm, edited 1 time in total.
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admin
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TOTEN dependence
TOTEN is the total energy of the cell as you defined in POSCAR
Last edited by admin on Fri Aug 03, 2007 8:54 am, edited 1 time in total.