EPW Forum

Dear all,
I want to calculate the epw.x of MgB2 in the examples DOC,
This is my output file epw.x
#############################################################################################
PseudoPot. # 1 for Mg read from file:
../pp/Mg.pz-n-vbc.UPF
MD5 check sum: 51ac066f8f4bf7da60c51ce0af5caf3d
Pseudo is Norm-conserving + core correction, Zval = 2.0
Generated by new atomic code, or converted to UPF format
Using radial grid of 171 points, 2 beta functions with:
l(1) = 0
l(2) = 1

PseudoPot. # 2 for B read from file:
../pp/B.pz-vbc.UPF
MD5 check sum: b59596b5d63edeea6a2b3a0beace49c5
Pseudo is Norm-conserving, Zval = 3.0
Generated by new atomic code, or converted to UPF format
Using radial grid of 157 points, 1 beta functions with:
l(1) = 0
EPW : 0.59s CPU 2.37s WALL

EPW : 0.64s CPU 2.47s WALL

-------------------------------------------------------------------
Wannierization on 6 x 6 x 6 electronic grid
-------------------------------------------------------------------

Spin CASE ( default = unpolarized )

Initializing Wannier90


Initial Wannier projections

( 0.33333 0.66667 0.50000) : l = 1 mr = 1
( 0.66667 0.33333 0.50000) : l = 1 mr = 1
( 0.50000 1.00000 0.50000) : l = 0 mr = 1
( 0.00000 0.50000 0.50000) : l = 0 mr = 1
( 0.50000 0.50000 0.50000) : l = 0 mr = 1

- Number of bands is ( 8)
- Number of total bands is ( 8)
- Number of excluded bands is ( 0)
- Number of wannier functions is ( 5)
- All guiding functions are given

Reading data about k-point neighbours

- All neighbours are found

AMN
k points = 216 in 32 pools
1 of 7 on ionode
2 of 7 on ionode
3 of 7 on ionode
4 of 7 on ionode
5 of 7 on ionode
6 of 7 on ionode
7 of 7 on ionode

AMN calculated

MMN
k points = 216 in 32 pools
1 of 7 on ionode
2 of 7 on ionode
3 of 7 on ionode
4 of 7 on ionode
5 of 7 on ionode
6 of 7 on ionode
7 of 7 on ionode
MMN calculated

Running Wannier90
###########################################################################################

Dear huisext:

I guess there is an issue with building Wannier90 (W90); currently, the library mode of W90 doesn't work in parallel.

Could you show me make.inc in the root directory of Wanier90 under Quantum ESPRESSO?

Sincerely,

H. Lee

Thanks, I have retried to make the EPW, and the running is OK!

Hi huisext,

Could you check if 'prefix.win' and 'prefix.wout' files exist or not? If yes, can you share it with us?

Best,
Hari