suresh2007pgp19 at gmail.com
Tue Nov 17 06:11:28 CET 2015
I installed Quantum espresso-5.2.1
and Wannier90-2.0.1 seperately in my system. Already wannier90-1.2 is
installed in quantum espresso-5.2.1 thus bin directory contains
I tried to calculate transport properties of silicon which is in
wannier90-2.0.1/examples/example16-withqe. The procedure for calculating
silicon transport properties as it is in tutorial guide is as follows
1. pw.x < Si.scf > scf.out
2. pw.x < Si.nscf > nscf.out
*3. wannier90.x -pp Si4. pw2wannier90.x < Si.pw2wan > pw2wan.out5.
wannier90.x Si6. postw90.x Si*
For my calculation i used wannier90.x & postw90.x which is presented in
wannier90-2.0.1 folder and pw2wannier.x which is in quantum espresso-5.2.1
folder. I used this because when i use wannier90.x which is in quantum
espresso-5.2.1 folder it shows error as boltzwann is not implemented in
wannier90-1.0. Is my procedure to calculate transport properties for
example16-withqe is right?
Madurai Kamaraj University,
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