Yes, I have tested with the same system.But v4.1.2 are OK.
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Dear Trinh Vo!
Here is some info from user guide
http://quantum-espresso.org/user_guide/node7.html
http://quantum-espresso.org/user_guide/node15.html
WIth best regards,
Koroteev Victor
PhD student
NIIC SB RAS
On Wed, May 19, 2010 at 2:49 AM, Vo, Trinh (388C)
wrote:
> Dear PWSCF Users,
>
> I am
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mailing list
Pw_forum at pwscf.org
http://www.democritos.it/mailman/listinfo/pw_forum
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This question related to "cdiaghg" have been asked many times,
See in:
http://www.quantum-espresso.org/user_guide/node50.html#SECTION000111070
or previous archives of Pw_forum.
Good luck,
Linh
Masoud Nahali wrote:
> Dear Quantum Espresso Users
>
> I have a simulation system with 7
,
outdir='./',
fildyn='zr.dyn',
/
Any one can help me please .
Thanks in advance.
P S Ghosh
B.A.R.C.
India
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e can help me please .
> Thanks in advance.
> P S Ghosh
> B.A.R.C.
> India
>
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--
Hui Wang
School of physics, Nankai University, Tianjin, China
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?
Thank You?
R. Ebraahimi
Grad. Student- Tehran University
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*
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On Wed, 19 May 2010 15:56:34 +0200, Nicholas E. Singh-Miller
wrote:
> There are also ways to compile such .tex in windows, but I am not sure of
> them.
It's called miktex, you can just google it.
regards
--
Lorenzo Paulatto
*** Note: my affiliation has changed! please send future
correspon
In user_guide.pdf (page 75 of qe-4.1.2) I read
that tr2_ph may be too large. Actually, I tested
benzene and the imaginary frequency disappeared
with tr2_ph = 1.d-12 (as suggested in example02).
Giovanni La Penna
Giovanni La
Hello
Thanks a lot for your comments
And specially to You Nicholas for providing the .pdf file.
R. Ebraahimi
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On 05/19/2010 08:11 AM, partha sarathi ghosh wrote:
> Dear all,
> I am trying to do phonon calculation of bcc-Zr from
> (0,0,0) to (1,1,1) in q-space.But I am getting negative frequencies in
> several q-points, also my curve is very different from experimental one.
> I optimized the s
appreciated
Thanks in advance.
Best Regards,
Vikas
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On May 19, 2010, at 3:20 , shudong wang wrote:
> Yes, I have tested with the same system
please provide a test job ...
---
Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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Dear all,
I found that the options 'xyt', 'xys' and 'xyzt' for 'cell_dofree'
have been removed in QE versions 4.1 and 4.2 (they were available in
4.0.5).
Were they not working as expected?
I'm tempted to copy the corresponding options from input.f90 of v4.0.5
to cell_base.f90 in v4.2, but I would
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