Dear Developers,
I tried to use EPW 5.4.1 to calculate the superconducting properties and met running error with the information,
Could you please tell me how to fix this problem? Thank you!
Ray
epw1.out:
Writing Hamiltonian, Dynamical matrix and EP vertex in Wann rep to file
===================================================================
Memory usage: VmHWM = 1461Mb
VmPeak = 4443Mb
Using uniform q-mesh: 4 4 4
Size of q point mesh for interpolation: 64
Using uniform MP k-mesh: 8 8 8
Size of k point mesh for interpolation: 150
Max number of k points per pool: 20
Fermi energy coarse grid = 9.372454 eV
Fermi energy is calculated from the fine k-mesh: Ef = 13.941903 eV
Warning: check if difference with Fermi level fine grid makes sense
===================================================================
ibndmin = ***** ebndmin = ********* eV
ibndmax = 0 ebndmax = ********* eV
Number of ep-matrix elements per pool : -562015068 ~= ******* Kb (@ 8 bytes/ DP)
We only need to compute 0 q-points
===================================================================
Memory usage: VmHWM = 1461Mb
VmPeak = 4443Mb
Fermi surface calculation on fine mesh
Fermi level (eV) = 13.941903
-99999 bands within the Fermi window
\
Solve anisotropic Eliashberg equations
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine read_frequencies (108):
error opening file ./sh3.ephmat/freq
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping …
the epw1.in is listed as follows:
&inputepw
prefix = ‘sh3’,
amass(1) = 24.31,
amass(2) = 50.94,
amass(3) = 1.008,
outdir = ‘./’
dvscf_dir = ‘../phonon/save’
restart = .true.
ep_coupling = .true.
elph = .true.
epwwrite = .true.
epwread = .false.
etf_mem = 1
wannierize = .true.
nbndsub = 28
num_iter = 200
dis_froz_max = 4.5
proj(1) = ‘Mg:s;px;py;pz’
proj(2) = ‘V:d’
proj(3) = ‘H:s’
iverbosity = 2
fsthick = 0.2 ! eV
degaussw = 0.05 ! eV
fermi_plot = .true.
ephwrite = .true.
eliashberg = .true.
laniso = .true.
limag = .true.
lpade = .true.
nsiter = 500
conv_thr_iaxis = 1.0d-3
wscut = 0.5 ! eV
muc = 0.05
nstemp = 3
temps = 10 20
nk1 = 6
nk2 = 6
nk3 = 6
nq1 = 2
nq2 = 2
nq3 = 2
mp_mesh_k = .true.
nkf1 = 8
nkf2 = 8
nkf3 = 8
nqf1 = 4
nqf2 = 4
nqf3 = 4
/
the construction of Wannier functions