[Pw_forum] Error forrtl: severe (24): end-of-file during read, unit 27, file /h/f/Q/pwscf.update

Madhurya Chandel madhurya.svnit at gmail.com
Sun Sep 10 16:05:27 CEST 2017


Respected Sir,
 From where did you get this (*your input has Fe-O distance 0.17 A, O-O
distance 0.28 A*)? How this is creating the problem in my calculation? Can
you please explain little bit more.

Thanking you

Madhurya
 BITS Pilani Goa Campus , India

On Sun, Sep 10, 2017 at 7:03 PM, Paolo Giannozzi <p.giannozzi at gmail.com>
wrote:

> On Sat, Sep 9, 2017 at 8:36 AM, Madhurya Chandel <madhurya.svnit at gmail.com
> > wrote:
>
> I have used CIF file no. 5910028 to get atomic position and other details
>> using virtual NanoLab.
>>
>
> your input has Fe-O distance 0.17 A, O-O distance 0.28 A
>
> Paolo
> --
> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216 <+39%200432%20558216>, fax +39-0432-558222
> <+39%200432%20558222>
>
>
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>



-- 

*Madhurya Chandel*

*Research Scholar *

*Department of Chemistry *

*BITS PILANI, GOA campus*

*+91-7507546773*
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