[QE-users] Unable to read namelist INPUT in midpoint calculation of WanT package

Savy B quantum.sim19 at gmail.com
Fri May 7 16:11:58 CEST 2021


Dear QE users,

I am new to QE and its tools. I want to calculate transport properties of a
composite material. In this regard, I am using WanT package. I have
successfully executed the SCF and band calculations with pw.x but I am
unable to use midpoint.x in WanT package. The following out put is coming
after giving input:

$ mpirun midpoint.x -in bulkmidpoint.in |tee bulkmidpoint.out

input:

&INPUT
       prefix = 'pwscf'
       work_dir = './'
       rcut = 5
    /


output:

from midpoint : error #         1
     Unable to read namelist INPUT

Please help me to resolve this issue.

Sincerely,
Savy.
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