stop in "Running Wannier90" and donnot update

Post here questions linked with issue while running the EPW code

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huisext
Posts: 4
Joined: Sun Aug 28, 2022 10:23 am
Affiliation: Kunming University

stop in "Running Wannier90" and donnot update

Post by huisext »

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
###########################################################################################

hlee
Posts: 396
Joined: Thu Aug 03, 2017 12:24 pm
Affiliation: The University of Texas at Austin

Re: stop in "Running Wannier90" and donnot update

Post by hlee »

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

huisext
Posts: 4
Joined: Sun Aug 28, 2022 10:23 am
Affiliation: Kunming University

Re: stop in "Running Wannier90" and donnot update

Post by huisext »

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

hpaudya1
Posts: 155
Joined: Tue Mar 21, 2017 7:11 pm
Affiliation:

Re: stop in "Running Wannier90" and donnot update

Post by hpaudya1 »

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

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