Hi all,
I am intend to start NMR properties with Gipaw package. Currently the only
qe-gipaw version which one can download from qe-forge is 4.3.1 and I have not
succeed in compiling it with Quantum Epresso version 4.3.2 (which is the oldest
QE in qe-forge). So, could you help me to get started
On Sep 13, 2012, at 7:14 , Jarkko V?h?kangas wrote:
> Currently the only qe-gipaw version which one can download
> from qe-forge is 4.3.1 and I have not succeed in compiling it
> with Quantum Epresso version 4.3.2 (which is the oldest QE
> in qe-forge).
it isn't
P.
---
Paolo Giannozzi, Dept of
Hi again,
so, I must make myself more clear: I do not have QE version which is supported
with qe-gipaw 4.3.1. How can I get that kind of? Is it possible to put it to
qe-forge?
thanks, Jarkko
>
>> Currently the only qe-gipaw version which one can download
>> from qe-forge is 4.3.1 and I have
On Thu, 2012-09-13 at 09:36 +0300, Jarkko V?h?kangas wrote:
> I do not have QE version which is supported with qe-gipaw 4.3.1.
I don't know which one, but it should be QE 4.3.1
> How can I get that kind of?
> Is it possible to put it to qe-forge?
it is already there:
http://qe-forge.org/gf/d
Note that EPW works only in conjunction with an old QE version
P.
On Wed, 2012-09-12 at 21:29 -0500, amei2 at illinois.edu wrote:
> Kind Developers,
>
>
> I compiled EPW without problems, however when I try the pb_small
> example, I get the following error when running epw.x before the
> "Impos
On Wed, 2012-09-12 at 15:46 +0200, Lat?vi Max LAWSON DAKU wrote:
> the virtual.x program being able to only deal with v.1 UPF.
anybody volunteering to extend upftools/virtual.f90 to UPF v.2?
P.
--
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy
On Wed, 2012-09-12 at 15:33 -0700, Tian Lan wrote:
> I expected a good structure from scf calculation should more or less
> agree with the MD run.
it does. First of all, you should verify that you can get the same
energy (within numerical noise, and not forgetting the Ha to Ry
conversion) with
On Wed, 2012-09-12 at 15:33 +0200, Thomas Gruber wrote:
> I found it somehow strange to "exclude" the weight test
you shouldn't exclude the test: if the weight is not correct,
the results will also be not correct. Apparently the algorithm
doesn't work well when you have force constants only in t
l of Mines(ISM)
Dhanbad, INDIA.
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On Thu, 2012-09-13 at 20:24 +0530, Bramha Pandey wrote:
> from cg_readin : error # 1
> double grid not implemented
> ecutwfc =95,
> ecutrho = 550
4*95 = 380 < 550. You are uyusing a grid for charge density
that is different from the one for Koh
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>
--
Lan, Tian
Ph.D. Candidate, Department of Applied Physics and Materials Science
California Institute of Technology,
Caltech M/C 138-78, Pasadena, CA, 91125
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