[QE-users] q2r error

Paolo Giannozzi p.giannozzi at gmail.com
Mon Feb 1 15:06:28 CET 2021


On Mon, Feb 1, 2021 at 1:49 PM Hang Hu <hang.hu at mail.concordia.ca> wrote:

>
> I/O syntax error, unit 1, file dmat.TiN1
>

in file 'dmat.TiN1', look for missing spaces between numbers (.e.g:
0.00000000-1.00000000 instead of 0.00000000 -1.00000000)

Paolo
-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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