Error: Problem opening input file wannier90.x.win

imane BEZZAOUI

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Apr 9, 2022, 7:25:22 PM4/9/22

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Dear users

I want to calculate the exchange parameters for the Heisenberg model starting from density functional theory. First, the Hamiltonian in the basis of Wannier functions (WF) is constructed using Wannier90. Then, TB2J is used to calculate the exchange parameters. but i found the problem in runining in Wannier 90.x .I'm trying to construct WF Hamiltonian but when i'm running with command : wannier90.x -pp fe_up (fe_up is input file) is gives me

Error: Problem opening input file wannier90.X.win
Error: examine the output/error file for details

Best regards

Xu He

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Apr 11, 2022, 9:14:12 AM4/11/22

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Hi,

Could you share the files otherwise it is not possible to know the problem.

Best regards,

HeXu

imane BEZZAOUI

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Apr 12, 2022, 8:09:22 AM4/12/22

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here the input file for scf and nscf calculation in pw.x and Fe.win is input file in wannier90.x i'm using quantum espresso

fe.in

nfe.in

Fe.win

Xu He

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Apr 12, 2022, 12:05:57 PM4/12/22

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Hi,

I don't see any problem in the Wannier input fie. Could you check the command used is "wannier90.x -pp Fe.", not "wannier90.x -pp wannier90.x" ?