Dear Dr. Xiaochuan,
Thank you very much. That is really helpful!
Have a nice day!
Cheers
Haibei
On Tue, Sep 2, 2014 at 11:48 PM, xiaochuan Ge wrote:
> ?Dear Haibei,
>
> Axel's point is right, you should be aware of the meaningfulness of having
> more digits printed out. Other than that, the w
?Dear Haibei,
Axel's point is right, you should be aware of the meaningfulness of having
more digits printed out. Other than that, the way of having it done is
quite easy. I suppose you have basic experience of FORTRAN, then you only
have to find in the source code where this quantity is printed o
On Mon, Sep 1, 2014 at 2:32 PM, Mike Marchywka wrote:
[...]
>> For that, you do _not_ need more digits for exactly the reason I gave
>> you. If you output more digits, you are just adding random numbers.
>> Literally.
>
> I suppose in general there could be offset problems with energies and you
Dear Axel,
Thanks for your reply!
I will try to understand and spent sometime learning what you suggested me
to do.
Best regards and have a good day!
Haibei
On Mon, Sep 1, 2014 at 11:41 AM, Axel Kohlmeyer wrote:
>
> On Sep 1, 2014 1:16 AM, "Haibei Huang"
> wrote:
> >
> > Dear Axel,
> >
> >
Dear Axel,
Thanks for your reply.
The truth is that I was trying to diagonalize a matrix made of a serials of
Energies obtained by pw.x, while some of elements in the matrix is quite
small (e.g. 10^-7 or 10-^8). Thus, I would like to know how many digits I
could trust in Energies. Or at least I s
> Date: Sun, 31 Aug 2014 21:41:11 -0400
> From: akohlmey at gmail.com
> To: pw_forum at pwscf.org
> Subject: Re: [Pw_forum] How to show more digits in the results?
>
>
> On Sep 1, 2014 1:16 AM, "Haibei Huang"
> mailto
On Sep 1, 2014 1:16 AM, "Haibei Huang"
wrote:
>
> Dear Axel,
>
> Thanks for your reply.
>
> The truth is that I was trying to diagonalize a matrix made of a serials
of Energies obtained by pw.x, while some of elements in the matrix is quite
small (e.g. 10^-7 or 10-^8). Thus, I would like to know h
Dear All,
I am aware of that the QE will only show at most 8 digits after the decimal
point in the output file, while more digits are needed in my calculation.
Could any of you provide a way to increase the number digits after the decimal
point?
Thanks for your time!
Looking forward to your r
On Aug 30, 2014 10:57 PM, "Haibei Huang"
wrote:
>
> Dear All,
>
> I am aware of that the QE will only show at most 8 digits after the
decimal point in the output file, while more digits are needed in my
calculation.
>
> Could any of you provide a way to increase the number digits after the
decimal
