oun...@lists.quantum-espresso.org> on behalf of Lorenzo
Paulatto <paul...@gmail.com>
Sent: Monday, April 9, 2018 10:00:13 AM
To: users@lists.quantum-espresso.org
Subject: Re: [QE-users] cholesky Error
On 09/04/18 09:57, Amin Mirzai wrote:
> %%
>
have attached the input file to this e-mail.
With kind regards,
Amin Mirzai,
PhD candidate
Dept. of Maskinteknologi,
Lund University,
P.O. Box 118,
SE-221 00 Lund,
Sweden
inputfile
Description: inputfile
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real fingers
On Mon, Mar 5, 2018, 16:57 Amin Mirzai
<amin.mir...@mek.lth.se<mailto:amin.mir...@mek.lth.se>> wrote:
This is very strange, I have tried it again by constructing the same thing but
in a new file... still the same error! maybe there is something wrong with the
QE version i
real fingers
On Mon, Mar 5, 2018, 16:57 Amin Mirzai
<amin.mir...@mek.lth.se<mailto:amin.mir...@mek.lth.se>> wrote:
This is very strange, I have tried it again by constructing the same thing but
in a new file... still the same error! maybe there is something wrong with the
QE version i
wrong, your input works for me. Maybe you have some
hidden special character in the file that has not been pasted in the e-mail?
Giovanni
On 5 Mar 2018, at 16:25, Amin Mirzai
<amin.mir...@mek.lth.se<mailto:amin.mir...@mek.lth.se>> wrote:
i tried it.. I even tried it on different machi
ocessor. Try
"bands.x -in file-name"
Paolo
On Mon, Mar 5, 2018 at 3:47 PM, Amin Mirzai
<amin.mir...@mek.lth.se<mailto:amin.mir...@mek.lth.se>> wrote:
Dear QE users,
Does anybody have any idea regarding following error:
%
Error in routine band
ocessor. Try
"bands.x -in file-name"
Paolo
On Mon, Mar 5, 2018 at 3:47 PM, Amin Mirzai
<amin.mir...@mek.lth.se<mailto:amin.mir...@mek.lth.se>> wrote:
Dear QE users,
Does anybody have any idea regarding following error:
%
Error in routine band
. However, when it comes
to bands.x calculation, it fails.
here is the input file for the bands.x:
prefix = "eu",
outdir = './out',
lsym = .true.,
filband = 'eu.dat'
/
With kind regards,
Amin Mirzai,
PhD candidate
Dept. of Maskinteknologi,
Lund University,
P.O. Box 118,
. However, when it comes
to bands.x calculation, it fails.
here is the input file for the bands.x:
prefix = "eu",
outdir = './out',
lsym = .true.,
filband = 'eu.dat'
/
With kind regards,
Amin Mirzai,
PhD candidate
Dept. of Maskinteknologi,
Lund University,
P.O. Box 118,
plying TDDFT
with EXX kernels. AFAIK such EXX kernels are implemented in TDDFPT,
but they are likely very expensive. Moreover, I do not know if speedup
tricks such as ecutfock and ACE have been implemented yet.
HTH
Giuseppe
Quoting Amin Mirzai <amin.mir...@mek.lth.se>:
> Dear QE users an
such as Y2SiO5 with TDDFPT module or in the larger context TDDFT itself?
Thanks in advance,
With kind regards,
Amin Mirzai
PhD candidate
Division of Mechanics
Lund University
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