[Wannier] K-points error for pw2wannier.x

[Giovanni Pizzi]

Dear Zeina,
I don't know if it is possible to send a file privately, the archives are public by default.

By looking into the code, that error is from wannier90 and not from pw2wannier right? Then, the error does not come from the # of kpoints being different between nscf and win (even if this is a requirement that, if not satisfied, will raise a different error later one). The error must be looked for in the .win file only.
Check that the # of lines of the kpoints block is equal to the product of the three values of the mp_grid flag. Also, we suggest to generate the list of kpoints with the utility that you can find in utility/kmesh.pl in the Wannier90 distribution.

Best,
Giovanni

--
Giovanni Pizzi
Post-doctoral Research Scientist
EPFL STI IMX THEOS
MXC 340 (Bâtiment MXC)
Station 12
CH-1015 Lausanne (Switzerland)
Phone: +41 21 69 31124




On 19 Nov 2014, at 19:17, Zeina Al-Dolami wrote:

Dear wannier's users and owners,
I am trying to run wannier90.x -pp to generate the file .nnkp before running pw2wannier.x. However, I have been getting the same error message that is " Wrong number of lines in block kpoints". I found one question was posted earlier by one user and the answer was to use the same number of kpoints for both nscf and win files if I understand it correctly. It is the case in my calculation; however, I get this error message. Would you please help me with it? Also, is it possible to attach a file to my email without being viewed by others except wannier's owners? Please let me know. Looking forward to hearing from you. Thanks in advance

Zeina
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