[Pw_forum] number of kpoints for lambda.x

yelena yelena at ipb.ac.rs
Tue Feb 4 12:29:23 CET 2014


Unfortunatly when I remove white spaces in file names I got sam result.
I tried
elph.0.416667.0.721688.0.000000
and also
elph.\ 0.416667.\ 0.721688.\ 0.000000
and also
elph.\0.416667.\0.721688.\0.000000

Still get:
At line 78 of file lambda.f90 (unit = 4, file = 'fort.4')
Fortran runtime error: End of file

I checked 78 line of lambda.f90 and it is:
do i=1,nex

nex is premade parameter, counter and it has value nex=200.
Line before says:
do ng=1,nsig

where "nsig" are calculations from elph files. So I guess, for some 
reason program still doesn't read elph files.

Any more suggestions how could I insert elph. files names?

J.


On 03 Feb 2014 16:04, Paolo Giannozzi wrote:
> On Mon, 2014-02-03 at 15:58 +0100, yelena wrote:
>
>> [...]
>> elph. 0.000000. 0.096225. 0.000000
>> [...]
>
>> What am I missing?
>
> the white spaces in file names
>
> P.
>> Best,
>> Jelena
>>
>>
>> On 31 Jan 2014 13:01, Lorenzo Paulatto wrote:
>> > On 01/31/2014 01:02 PM, yelena wrote:
>> >> Hi!
>> >> I'm trying to make lambda.x input, but I can't get proper number 
>> of
>> >> kpoints using kpoints.x. Is there any other way to calculate 
>> kpoints
>> >> for
>> >> lambda.x?
>> >> In electron phonon calculation I'm using 12 12 1 grid and get 43 
>> q
>> >> points and when I do kpoints.x for 12 12 1 I get 19 points. I'm
>> >> having
>> >> hexagonal structure with 7 atoms. What can I do?
>> >>
>> > Dear Yelena,
>> > the electron phonon calculation may be using both the k and k+q
>> > points, eventually with different symmerty. They are not necessary
>> > the
>> > same produced by kpoints.x
>> >
>> > bests
>>
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