Hi,
I’m trying to run epw but getting an error message as following
Message from routine qexsd_readschema :
xml data file ./PbCoO2.save/data-file-schema.xml not found
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine read_xml_file (1):
fatal error reading xml file
My scf and nscf calculations are done successfully and I’ve a XML file in the directory.
The epw input is as follows.
epw_step1
&inputepw
prefix = ‘PbCoO2’,
outdir = ‘./’
dvscf_dir = ‘../save’
!ep_coupling = .true.
elph = .true.
epwwrite = .true.
epwread = .false.
wannierize = .true.
nbndsub = 10
num_iter = 100000
dis_froz_min= 7.2
dis_froz_max= 10.7
proj(1) = ‘Pb:d’
proj(2) = ‘Co:d’
wannier_plot = .true.
wdata(1) = ‘bands_plot = .true.’
wdata(2) = ‘begin kpoint_path’
wdata(3) = ‘G 0.00 0.00 0.00 L 0.50 0.00 0.00’
wdata(4) = ‘L 0.50 0.00 0.00 F 0.50 0.50 0.00’
wdata(5) = ‘F 0.50 0.50 0.00 G 0.00 0.00 0.00’
wdata(6) = ‘G 0.00 0.00 0.00 T 0.50 0.50 0.50’
wdata(7) = ‘end kpoint_path’
wdata(8) = ‘bands_plot_format = gnuplot’
fsthick = 0.4 ! eV
degaussw = 0.1 ! eV
degaussq = 0.05 ! eV
nk1 = 16
nk2 = 16
nk3 = 16
nq1 = 8
nq2 = 8
nq3 = 8
/
I would appreciate any help.
Thanks!
Prachi.