EPW Forum

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.

Hi Prachi,

You need to do scf and nscf calculations before epw run. It would be helpful if you go through one of the EPW tutorials https://docs.epw-code.org/doc/Tutorial.html

Best,
Hari