Hi quantum espresso users,
The summation of all the projected density of states is not matching the total
density of states at higher energy.I repeated my calculationby reducing the
number of bands. I got a spiiling parameter of 0.0174. My system is Si and
H.Can anyone please tell me , where can I get some refrences about the spilling
parameter .I used the following parameters
etot_conv_thr = 1.D-4
forc_conv_thr = 1.D-3
nstep = 600
wf_collect = .true
ecutwfc = 40
ecutrho = 160.0
diagonalization ='david'
mixing_mode = 'plain'
conv_thr = 1.0d-6
mixing_beta = 0.3
Thanks and regards
Dimpy
UCC,Ireland
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