[Pw_forum] bct_cell

bhabya sahoo bdslipun at gmail.com
Mon Jan 9 14:01:13 CET 2012


i want to find the vibrational energy of a bct_cell
so i need tetra hedra file my c/a=.9
for this how can i find the vertex of cordinates






i have seen in the tetrahedra in put of bct cell in QHA code given
so how i can calculate my triinp_bct  file
 my question is how can i find the vertex by xcrysden
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