[Pw_forum] PP.X error in calculating HOMO level
Rui Li
moonfine at mail.sdu.edu.cn
Tue Mar 5 11:52:23 CET 2013
Dear all:
I am trying to calculate HOMO level. I first did relaxed calculation and then nscf calculation.
When I use pp.x to calculate the HOMO level, I got an error message:
Error in routine local_dos (1):
not available
below is my input file:
&inputpp
prefix = 'tt'
outdir = '/home/pwscf/0225/'
filplot = 'homo'
plot_num= 7
kpoint= 1
kband = 60
lsign = .true.
/
&plot
nfile = 1
filepp(1) = 'homo'
weight(1) = 1.0
iflag = 3
output_format = 6
fileout = 'tt.homo.cube'
/
I need your help, thanks in advance!
Best Regards
Rui
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