[Pw_forum] Error forrtl: severe (24): end-of-file during read, unit 27, file /h/f/Q/pwscf.update
Paolo Giannozzi
p.giannozzi at gmail.com
Mon Sep 11 08:49:37 CEST 2017
On Sun, Sep 10, 2017 at 4:05 PM, Madhurya Chandel <madhurya.svnit at gmail.com>
wrote:
> From where did you get this (*your input has Fe-O distance 0.17 A, O-O
> distance 0.28 A*)?
>
from auxiliary code "dist.x", distributed with QE
> How this is creating the problem in my calculation?
>
it will not converge
--
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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