[Wannier] questions about generating (*.nnkp) file

Zeina Al-Dolami zaldolam at email.uark.edu
Sun Oct 26 18:45:16 CET 2014


Assuming that I am in the right direction now, below is my message

Dear wannier90 developers,
I have questions related to using wannier90-1.2 under espresso-5.1 to
calculate the quantum conductance. I have run scf and nscf for cnt 55
example without any problems. However, I am unable to get the file cnt.nnkp
generated. According to the instructions in the manual, I should get this
file when running wannier90.x -pp before running pw2wannier90.x if I need
to continue to get the quantum conductance. Is it true (not necessarily for
this example but any other materials)? or I misunderstood the explanation?
Can this problem be caused by missing something when installing the code at
HPC at the university? If not, what is the problem? My questions may seem
trivial, but I have no background in simulation. I am just reading the
manual and user guide and following the instructions there. Looking forward
to hearing from you.

Your time and help are greatly appreciated

Zeina A. Al-Dolami
PhD candidate in MEPH
University of Arkansas
Fayetteville, AR 72701
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