[Pw_forum] phonon at Gamma
Ezad Shojaee
ezadshojaee at hotmail.com
Sun Nov 19 12:48:08 CET 2006
hi
calculating phonons at gamma for my case, i have some frequencies minus and
far from experimental data. there is no doubt in the structure and these are
my input parameters
ecutwfc=200
ecutrho=1600
K_points {automatic}
12 12 6 0 0 0
and the calculation is in the GGA approximation
what have i missed?
thanx for any help
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