dear EPW developer
during I run epw.x, an error occurred while reading the input file there is an error reported:
Parallel version (MPI), running on 1 processors
MPI processes distributed on 1 nodes
Waiting for input...
Waiting for input...
Reading input from standard input
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Error in routine epw_readin (1):
reading input file
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stopping ...
Waiting for input...
Reading input from standard input
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine epw_readin (1):
reading input file
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
Waiting for input...
Reading input from standard input
Title line not specified: using 'default'.
Reading input from standard input
Title line not specified: using 'default'.
No temperature supplied. Setting temps(:) to 300 K.
Reading xml data from directory:
./nbse2.save/
No temperature supplied. Setting temps(:) to 300 K.
Reading xml data from directory:
./nbse2.save/
file Nb.pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P renormalized
IMPORTANT: XC functional enforced from input :
Exchange-correlation= PBE
( 1 4 3 4 0 0 0)
Any further DFT definition will be discarded
Please, verify this is what you really want
G-vector sticks info
--------------------
sticks: dense smooth PW G-vecs: dense smooth PW
Sum 1069 1069 379 150245 150245 31655
negative rho (up, down): 3.371E-04 0.000E+00
file Nb.pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P renormalized
IMPORTANT: XC functional enforced from input :
Exchange-correlation= PBE
( 1 4 3 4 0 0 0)
Any further DFT definition will be discarded
Please, verify this is what you really want
G-vector sticks info
--------------------
sticks: dense smooth PW G-vecs: dense smooth PW
Sum 1069 1069 379 150245 150245 31655
this is epw.in:
--
&inputepw
prefix= 'nbse2',
amass(1)= 92.9064,
amass(2)= 78.96,
outdir= './'
ep_coupling = .true.
elph= .true.
kmaps= .false.
epbwrite = .true.
epbread = .false.
epwwrite = .true.
epwread = .false.
etf_mem = 1
nbndsub = 8
wannierize = .true.
num_iter = 5000
dis_froz_min= -1.55d0
dis_froz_max = -0.35d0
proj(1) = 'Nb:l=2,mr=1'
wdata(1) = 'Begin Kpoint_Path'
wdata(2) = 'G 0.00 0.00 0.00 M 0.00 0.50 0.00'
wdata(3) = 'M 0.00 0.50 0.00 K 0.333 0.333 0'
wdata(4) = 'K 0.333 0.333 0.0 G 0.00 0.00 0.00'
wdata(5) = 'End Kpoint_Path'
wdata(6) = 'bands_plot = .true.
iverbosity = 2
ephwrite=.true.
fsthick= 0.4
degaussw= 0.1
nsmear= 1
delta_smear = 0.04
degaussq = 0.5
nqstep= 500
eliashberg = .true.
laniso = .true.
limag = .true.
lpade = .true.
temps= 1.00
nsiter= 500
dvscf_dir = 'save'
nk1 = 18
nk2 = 18
nk3 = 1
nq1 = 9
nq2 = 9
nq3 = 1
mp_mesh_k = .true.
nkf1 = 20
nkf2 = 20
nkf3 = 1
nqf1 = 20
nqf2 = 20
nqf3 = 1
/
Error in routine epw_readin (1): reading input file
Moderator: stiwari
Re: Error in routine epw_readin (1): reading input file
Hi yq_zhao,
The input file looks fine. I even double checked with epw-v5.3.1, it runs fine. I assume something is not correct in your scf and nscf calculation.
Could you tell us which version of the code are you using and provide your scf.in and nscf.in files?
Best,
Hari Paudyal
The input file looks fine. I even double checked with epw-v5.3.1, it runs fine. I assume something is not correct in your scf and nscf calculation.
Could you tell us which version of the code are you using and provide your scf.in and nscf.in files?
Best,
Hari Paudyal