[Pw_forum] summation of total PDOS does not matches the Total DOS

[Dimpy Sharma]

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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