Error in routine epw_readin (1): reading input file
Posted: Tue Apr 13, 2021 8:51 am
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
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine epw_readin (1):
reading input file
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
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
/
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
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine epw_readin (1):
reading input file
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
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
/