Re: [Kwant] Density Operator & Current Operator for 3D systems

Naveen Yadav wrote: > Following the Kwant documentation, it is easy to plot probability > density for 2D systems. But on following the same procedure for the 3D > systems it shows an *ValueError: Only 2D systems can be plotted this > way.* Please suggest me if there is a way to plot probability

Re: [Kwant] translational symmetry for non-integer polyatomic basis

Zang, Hang wrote: > Thanks a lot for your help, I just have one more question: is there a > way to successfully build up a system with non-integer periodic value > just in the way of my previous script? i.e. with 3 atoms at (1.0, 1.0, > 1.0) (0.0, 0.0, 0.0) (-1.0, -1.0, -1.0) and a translational

Re: [Kwant] Infinite Slab and wraparound

Bogusz Bujnowski wrote: > I would like to solve the 3D Schrödinger equation with a 1D potential > step. With the material in the mailing list as well as from the > tutorial the 2D case works fine. > > Extending to 3D gives the same when just taking one lattice site in > the z direction (H>1).

Re: [Kwant] translational symmetry for non-integer polyatomic basis

Zang, Hang wrote: > Dear Kwant developers, To anyone reading this: even though question are often directly addressed at "Kwant developers", anybody interested is encouraged to pariticipate in any discussion on this list. Please try to perpetuate this spirit by not addressing messages only to

Re: [Kwant] Changing Hamiltonian after finalized()

Pavlo Bulanchuk wrote: > def onsite(site): > return np.random.uniform(-0.1,0.1) > > I have two concerns about this: > 1. Does it produce a correct S-matrix and conductance? Will I get a > conductance averaged over disorder if I average the transmission > coefficient of the S-matrix? Your

Re: [Kwant] bug in the installation of kwant (linux mint)

Victor Fernandez Becerra wrote: > I am having problems with the installation of kwant in linux mint 19.1 Hi, sorry for the late reply... Since we do not provide binary Debian packages for Linux Mint, it's a matter of luck whether any of the DEBs that we do provide will work. Linux Mint 19

[Kwant] Kwant 1.4.1 has been released

Kwant 1.4.1 has been released recently. By now the new version should be available on all usual channels. This maintenance release does not introduce any new functionality, but fixes some backwards compatibility issues that were introduced by 1.4.0. Most notably, Kwant 1.4.1 is more tolerant to

Re: [Kwant] A question about the representation of the wavefunction

Adel Kara Slimane a écrit : > About the memory usage, I don't understand why it would take > signifcantly more space, but maybe because I first suggested an array > of Python objects instead of compiled objects, which take more space ? A Python list of 1000 tinyarrays of two numbers each takes

Re: [Kwant] A question about the representation of the wavefunction

Hi Adel, Your understanding of the way wave functions (and other observables) are stored is correct. You are also right that working with low-level observables is inconvenient and could be improved. I'll explain how the current situation came about, and offer a possible solution. As always,

Re: [Kwant] Eigevalues with 1D symmetry in k_y direction

Dear Eleni, Can you please post a complete, executable example that demonstrates your problem and is as simple as possible? The issue that you bring up seems rather subtle, and trying to understand it from reading your message without something to experiment with is hard. Cheers Christoph

Re: [Kwant] Updating Kwant paper and APS tutorials code

WONG, Sheung Chuen wrote: > I am just a beginner on Kwant and downloaded Kwant 1.4. > > It is quite frustrated on getting syntax errors using full sample code > from Kwan paper or APS tutorial > > which themselves provide very good introduction. > > For example, in Kwant paper Appendix D.5, > >

Re: [Kwant] Dangling Bonds in Kwant

Sergio Castillo Robles wrote: > I was wondering, what exactly does KWANT consider a dangling bond? An > unsatisfied valence, a truncated unit cell,..? I was looking for > detailed information in the documentation, but no success so far. Good point! The builder module actually never speaks of

[Kwant] Kwant 1.4 has been released

ons of Kwant 1.x. The following people contributed code to this release: * Anton Akhmerov * Paul Clisson * Christoph Groth * Thomas Kloss * Bas Nijholt * Pablo Pérez Piskunow * Tómas Örn Rosdahl * Rafał Skolasiński * Dániel Varjas * Joseph Weston We would like to hear your feedback at kwant-discuss@kwant-

Re: [Kwant] Heat and energy currents using tkwant

RECK Phillipp wrote: > Concerning the question of whether they should be integrated to kwant > or to tkwant: I guess I agree that a good place for the specialized > currents is tkwant whereas the generalOperator would fit better into > kwant. The only problem and/or inconsistency, that I see, is

Re: [Kwant] Heat and energy currents using tkwant

Thanks, Phillipp! Your plan looks good to me. It seems a good idea to merge your stuff into tkwant, since it indeed does not seem to be useful with Kwant proper alone. One could argue that someone could obtain time-dependent wave functions with Kwant but without using tkwant (e.g. by

Re: [Kwant] Updating Kwant

Hi Marc, If you can wait a little while: we are putting the final touches on a new release of Kwant (1.4). It should be done in under two weeks. Christoph smime.p7s Description: S/MIME cryptographic signature

Re: [Kwant] Error in bounds keyword in kwant.kpm.spectraldensity

Hadi Zahir wrote: > I receive the following error when I call kpm.spectraldesnisty with a > "bounds" keyword. > Here is the error: >  in _rho = kwant.operator.Density(syst, sum=True, where=in_circle, > bounds=[lw_bound, up_bound]) >   File "kwant/operator.pyx", line 735, in

Re: [Kwant] issues with Current calculation

Sergey Slizovskiy wrote: > As for ppa install,  I might be doing something wrong:   (Linux Mint 19 > = Ubuntu bionic) > > sudo add-apt-repository ppa:kwant-project/ppa > sudo apt-get update > sudo apt-get install kwant > > returns: > "Unable to locate package kwant" Kwant 1.3.3 and Tinyarray

Re: [Kwant] issues with Current calculation

Hi Sergey, Can you post a complete script that reproduces your problem? Sergey Slizovskiy wrote: > I get the following suspicious message: The size of the file > /home/sergey/.local/lib/python3.6/site-packages/kwant/operator.cpython-36m-x86_64-linux-gnu.so > is 2734 KB. Do you really want to

Re: [Kwant] Understanding current maps

Marc Vila wrote: > But then, in one edge I have a stronger color meaning there is more > current there, but on the other hand, in the other edge the arrow is > thicker, which I assume it also represents more current. Does the > arrow thickness and color represent the same thing and therefore both

Re: [Kwant] A question about setting different hopping energies in different regions

. And after that, > how to deal with the hoppings across the interface? > > I also see Prof. Christoph Groth already giving some solutions on the > relevant issue, see here: > https://mailman-mail5.webfaction.com/pipermail/kwant-discuss/2016-November/001027.html. Thanks for tak

Re: [Kwant] Band Structure in an Electric Field (Lead vs System)

Shivang Agarwal wrote: > 1) What is the difference between plotting a band structure for sys > and sys.leads[0]? The difference is that plotting the band structure for sys.leads[0] will work and for sys it won't. > 2) How can I plot the band structure of my system (and not its leads) from > the

[Kwant] Generalize current (and density) interpolation

Anton Akhmerov wrote: > On Fri, Mar 23, 2018 at 5:22 PM, wrote: > > > Is there currently way to visualize the current through a 2D cut for > > a 3D system that does not involve messing with the kwant code? > * After computing the current across those hoppings, you would need

Re: [Kwant] Disorder with kwant.digest.uniform

Antonio Lucas Rigotti Manesco wrote: > I wish to know if the parameter "salt" on the function > kwant.digest.uniform have a physical meaning. Varying it, it seems to > me that when I use it on a system, the lower the value of salt is, the > local disorder implemented becomes more smooth, but I

Re: [Kwant] interpolate between different gauge choices

Tibor Sekera wrote: > Should the functions in your code defining hopping look differently > for a honeycomb lattice? Not if you have leads that point in the x- and y-direction, as in my example. The example can be generalized to arbitrary lead directions. smime.p7s Description: S/MIME

Re: [Kwant] electrical conductivity

Dear Chung, We (the authors of Kwant) often do not have the time to help out with questions that are not specific to Kwant. Perhaps you will be lucky and someone else will reply. Best, Christoph smime.p7s Description: S/MIME cryptographic signature

Re: [Kwant] interpolate between different gauge choices

Tibor Sekera wrote: > Because one of the leads is translationally invariant along x > direction, while the other one along y direction, I need to > interpolate between two different gauge choices. > > Is there an easy (universal) way to do this? No, there is no support for this in Kwant. We

Re: [Kwant] Defining hopping in 3D structure with 3 basis atoms

Sergio Castillo Robles wrote: > Well, the problem is that i cant find a way to properly show the > desired hopppings in this structure, as you could see i've tried usign > the lat.neighbors() function showing me wrong hoppings and the > HoppingKind function sending a error msg listed below. The

Re: [Kwant]

Prof. CHAN Kwok Sum wrote: > May I have some references for the method used to find the scattering > wavefunction? In the paper in New Journal of Physics about Kwant, a > paper about the theory is mentioned. However, I cannot find the > paper. Is it possible to have some references on the theory?

Re: [Kwant] voltage drop between any given pair of sites

Chung Tsai wrote: > I was wondering if there is a way to calculate the voltage drop between > sites i and j (Vj-Vi) for any given pair of sites in the system? You can attach leads as "voltage probes" to the sites of interest and then use

Re: [Kwant] Current in a closed system

Abbout Adel wrote: > I noticed that changing the variable colorbar=False to True does not show > the color bar ! (in the same example) > I thought it was my matplotlib but it seems not working also in another > computer. (my matplotlib is 2.0.2) Hi Adel, I just fixed this issue that you

Re: [Kwant] Colorbar doesn't appear

Luan Vieira de Castro wrote: > However, when the figure is plotted, the colorbar doesn't appear. I know > that this is a simple matter, but can someone indicate to me what am I > doing wrong? Thanks for reporting this issue. It has been fixed and will be released with Kwant 1.3.2. For now, you

Re: [Kwant] Fwd: problems when plotting the current density map

Duarte José Pereira de Sousa wrote: > I'm having problems when formatting the current density map of a system. > First, the colorbar doesn't appear even when colobar = True in the > arguments of kwant.plotter.current. Duarte, thanks for reporting this problem. I have fixed it for the (yet

Re: [Kwant] Importing Hamiltonian from file

Hi Marta, There are different ways to turn a Hamiltonian from a file into a Kwant system. You could for example write your own small low-level-system class as shown in Appendix B.1 of the Kwant paper. Such systems will be also plottable if they implement a 'pos()' method [1]. The easiest way,

Re: [Kwant] continuous vs discrete leads

Patrik, can you please provide a complete script file that demonstrates your problem? smime.p7s Description: S/MIME cryptographic signature

Re: [Kwant] kwant.builder.BuilderLead

Hi Tatsiana, The error message that your script produces (when one uncomments the line that finalizes 'sys') is not helpful (we'll try to improve it), but it is justified. Your script does not work because you are attaching builders without any symmetry as leads. You have to declare a

Re: [Kwant] performance of mumps solver and sparse solver.

Prof. CHAN Kwok Sum wrote: Does it mean mumps is used in default? If yes, this explain why the default and mumps packages have the same speed in my simulation. kwant.smatrix is the same as kwant.solvers.default.smatrix [1]. This “default” solver combines the best available solver

Re: [Kwant] Semi-Wrap Around Leads

Hi John, I don't see a problem in realizing your geometry as-is in Kwant. First you create a builder for the "white" scattering region, then you create two builders-with-symmetry for the "black" leads. The translational symmetry of the leads will be, like in the (?) experiment, in the x

Re: [Kwant] Installing kwant 1.2.2 on Fedora 24

Kwant's (development version) setup.py understands the option --configfile to specify an alternative path for "build.conf". Together with pip's --global-option it should be possible to use a custom build.conf also when installing with pip. Something like this: pip3

Re: [Kwant]

Christoph Groth wrote: You can follow the instructions at the bottom of the Debian section of the installation instructions [1] to build your own source packages. I rather mean: to build your own packages from the sources. smime.p7s Description: S/MIME cryptographic signature

Re: [Kwant]

Prof. CHAN Kwok Sum wrote: I have installed recently kwant on an Ubuntu system following the instruction in the installation page. I noted that the python used is python 3.4.3. Is there anyway to replace it with python 3.5 or above without installing from the source? You can follow the

Re: [Kwant] kwant.builder.BuilderLead

Татьяна Григоренко wrote: How interface parameter of class kwant.builder.BuilderLead(builder, interface) is specified? The documentation says: “interface: Sequence of sites in the scattering region to which the lead is attached.” Please be more specific on what remains unclear. How to

Re: [Kwant] Installation instructions for Kwant on WSL

Hi Andrey, Thanks for sharing your instructions. Do you see a way to automatize this somehow, e.g. to provide Kwant packages for WSL? Is it possible to install our regular Ubuntu Kwant packages [1] in WSL? Christoph [1] https://kwant-project.org/install#ubuntu-and-derivatives smime.p7s

Re: [Kwant] How to attach the leads manually?

дорогая Татьяна, kwant.builder.Lead is an abstract base class. This means it cannot be instantiated directly, it’s purpose it to be subclassed. Instead, you may create instances of its “children”: kwant.builder.BuilderLead, kwant.builder.SelfEnergyLead, or kwant.builder.ModesLead. You

Re: [Kwant] Using Kwant for finding tunneling probability from metal to vacuum

Kristjan Eimre wrote: I have a 3d electron potential landscape for a metal-vacuum surface calculated with DFT. (More detailed info and pictures in [1]). Can I use Kwant to calculate the transmission probability of electrons incident on the surface? This looks to me like Kwant's first

Re: [Kwant] Spatially dependent hopping

Hi Camilla, these are good questions. You wrote: I was wondering if there is an easy way to define different regions with different hoppings? E.g. what I want to achieve is to make system where the hopping from one of the leads into the scattering region is different from the hopping within

Re: [Kwant] Family-dependent onsite potential

Michael Wimmer wrote: Indeed, kwant.plotter.map can only work with finalized systems, to plot functions that have as an argument the index (integer) of individual sites. Actually this is not correct. kwant.plotter.map() will, just like kwant.plotter.plot(), work with unfinalized builders.

Re: [Kwant] Family-dependent onsite potential

Camilla Espedal wrote: Thanks, I now changed the order, but I still get the same error message. So now the code reads kwant.plotter.map(sys, V) sys = sys.finalized() but now it seems to be in a different place the error message is now ‘int’ object has no attribute ‘site’, and the

Re: [Kwant] Family-dependent onsite potential

Camilla Espedal wrote: (...) but it does not work. I get error message: ‘int’ object has no attribute ‘family’. How can I solve this, or what am I doing wrong? This shouldn’t be. Can you provide a complete script that demostrates the problem? Christoph smime.p7s Description: S/MIME

Re: [Kwant] Is the transmission/conductance matrix at zero temperature calculated at E = 0?

Jiuning Hu wrote: I am wondering if the output from the transmission matrix t(E) (used to calculate G(E)) of kwant is calculated at E = 0, i.e., what we have is actually t(E=0) and G(E=0). Although this looks like that the Fermi level is fixed at E = 0, the actual Fermi level (e.g., relative

Re: [Kwant] energy spectrum of carbon nanotube

Abbout Adel wrote: When you plot the lead cell, as you did it in your program, you can not see if your system is exactly what you were expecting. So I suggest to you,in order to see why you are getting a different spectrum then what you are expecting, is to do the following: 1) define a

Re: [Kwant] more MUMPS problems

Hi Leon, Glad to hear that you managed to get it to work. If you ever experiment with threaded MKL, I would be interested to know how well Kwant scales with it on multiple cores. (A good enough test seems to be to calculate conductance through a large system with square geometry, perhaps

[Kwant] Intel Distribution for Python

I’m posting this here since some people may be interested to play around with Kwant and the following: Intel has just released the “Intel Distribution for Python”. That’s an anaconda-based variant of the scientific Python stack that has been optimized with Intel’s libraries like MKL and TBB.

Re: [Kwant] Нow to set the coordinates of the atoms in the "2.5 Beyond square lattices: graphene"

Hi Матусевич, There’s no need to send your code both inlined and as an attachment… Матусевич wrote: Thanks for the help. I added all the sites and hoppings. But I can not display the image, an error: 'SimpleSiteFamily' object has no attribute 'pos'. What does this mean? Let's say you have

Re: [Kwant] Runnning Kwant computations on parallel machines

Adrian Nosek wrote: My name is Adrian Nosek, I am a graduate student at the University of California Riverside in Condensed Matter Physics, and I was wondering whether there are any plans to extend Kwant and let it run on parallel machines, so that systems of bigger sample size could be

Re: [Kwant] Help needed: Kwant on the Mac

Xin Dai wrote: For me a convenient routine is to install Anaconda distribution for python on Mac then install kwant via conda. It also has the advantage that one doesn't need bother with the MUMPS dependence. Thanks for this information. If conda works for everybody (as it seems), I

[Kwant] Help needed: Kwant on the Mac

Hi everyone, Are there any Mac enthusiasts out there who would volunteer to help us to maintain the packaging of Kwant on that important platform? The packaging of Kwant for MacOS X [1] is outdated [2]. Both homebrew [3] and macports [4] seem to be still at the stage of Kwant 1.0. This

Re: [Kwant] "No module named kwant" when using iPython

Bas Nijholt wrote: One easy thing to get everything running is to use Anaconda and then install kwant with: conda install -c basnijholt kwant=1.2.2 Hi Bas, would you mind to document installation with Conda at https://kwant-project.org/install? smime.p7s Description: S/MIME cryptographic

Re: [Kwant] LDOS and added lead sites to the scattering region

Hi Tibor, you wrote: But, if I want to plot LDOS using "kwant.ldos(sys, energy)", it plots LDOS also on this added part modeled by H', which obscures the LDOS of my interest on the original scattering region modeled by H. The function kwant.plotter.map() does not provide a way to exclude

Re: [Kwant] Fw: CNT lead

Roohollah Hafizi wrote: My question was about how to enter the geometry of a (1D) CNT in KWANT. Suppose that I want to enter the attached output.cif file, as a lead. How should I enter the atomic positions and ensure that the periodicity of the CNT is preserved? An addition: you could of

Re: [Kwant] Fw: CNT lead

Roohollah Hafizi wrote: My question was about how to enter the geometry of a (1D) CNT in KWANT. Suppose that I want to enter the attached output.cif file, as a lead. How should I enter the atomic positions and ensure that the periodicity of the CNT is preserved? The easiest way is to use 2d

Re: [Kwant] Problem with site color

Hi Johnny, I’m aware that sites are missing in the documentation on the website [1], I just didn’t fix it yet. But I believed that this problem is due to a bug in matplotlib 1.4 that got fixed in matplotlib 1.5. On my machine (running Debian GNU/Linux with Python 3.5 and matplotlib 1.5.1)

Re: [Kwant] Some simple and general questions

Hi Jacob, I will start to answer some of your questions: Gayles, Jacob Davis wrote: 1) I would like to know what is the simplest way the number of sites, the positions, and the tuples of these sites. I would like to print them all out. For a builder or for a finalized builder? 2) In this

[Kwant] Kwant-based tutorial: try it directly in your web browser

Dear users of Kwant, At this year’s APS March meeting the core Kwant team held an “Introduction to Computational Quantum Nanoelectronics” tutorial [1]. The bulk of the course consisted of hand-on work with Kwant-powered Jupyter notebooks that contain explanations, examples and exercises.

Re: [Kwant] 2D materials other than graphene.

siddheshwar chopra wrote: Could you please tell about the parameters required for tight-binding model for graphene case? (...) As Joseph said your question is not at all related to Kwant and therefore off-topic for this mailing list. Please consult a general physics forum, or the

Re: [Kwant] Conda packages for Kwant

Bas Nijholt wrote: I do plan to maintain these, since for the coming 4 years I’ll definitely be working with Kwant and probably on my Mac. Great! So once you feel confident that your packages are production-ready, could you please update the installation instructions on the website?

Re: [Kwant] Kwant for bulk system

weiyuanphysics wrote: I had tried to install kwant 1.1 after its release, but it showed some error message like "lack of lapack". Do I need to install lapack before I install all the kwant codes? It seems i do not need to do this for kwant 1.0. Are you perhaps referring to the Microsoft

Re: [Kwant] Kwant for bulk system

Weiyuan Tong wrote: Thanks for your code. Can I run it on kwant 1.0 ? When I run your code on my computer I get some error message: The code will work with Kwant 1.0 as well. The test fails because the convention for the sign of momentum of kwant.physics.Bands changed in Kwant 1.1 [1].

Re: [Kwant] Should we disable implicit overwriting in Builder?

Chagaan Baatar wrote: I also like to chime in and vote with Anton on this. What I try to do with Kwant is to build nanographene or polycyclic aromatic hydrocarbon (PAH) molecular structures by combining smaller structures/molecules, sometimes in a hierarchical way. With overwrite, when I

Re: [Kwant] Kwant for bulk system

Weiyuan Tong wrote: I want to calculate the conductance and the band structure of a bulk graphene system. Finalized systems in current Kwant can only handle a single direction of translational symmetry. We are working on removing this restriction, but this unfortunately requires modifying

Re: [Kwant] Should we disable implicit overwriting in Builder?

Anton Akhmerov wrote: Firstly, overwriting hoppings is handy, and we even use it in Kwant tutorial: http://kwant-project.org/doc/1/tutorial/tutorial2#nontrivial-shapes Sure it is handy. That’s why I don’t want to disallow it, only to make it explicit in order to avoid things getting

Re: [Kwant] How strict should we take backwards compatibility?

Koen Reijnders wrote: By the way, just for curiosity, it is easy to say what the current efficiency of syst.graph.out_neighbors is? Or is it more or less instantaneous? Currently it’s very fast, just a few lookups in integer tables that are done in Cython. The time it takes does not depend

Re: [Kwant] Installing Kwant on Windows

Hi Siddheshwar, Thanks for trying. Did you download the *.whl files from Christoph Gohlke's site as described in [1]? You need to execute the command that I gave in the same directory into which these files have been put. Christoph [1] http://kwant-project.org/install#microsoft-windows

Re: [Kwant] Installing Kwant on Windows

Hi, I just had the idea that the lack of wildcard support in the default Windows shell could be worked-around using Python's own means. Could someone who has access to a Windows machine please try whether the Windows installation instructions [1] work when the command pip3 install

Re: [Kwant] kwant and Anaconda distribution

Anton Akhmerov wrote: You probably can find a workaround it by setting the PYTHONPATH environment variable, but this may cause further troubles due to conflicts between different versions of numpy and python. I do not think that there would be any conflicts. I believe that the only

Re: [Kwant] Kwant 1.2 has been released

Hi Jörg, Thanks! I’ve updated http://kwant-project.org/install#arch-linux. Christoph smime.p7s Description: S/MIME cryptographic signature

Re: [Kwant] Quantum Hall effect in graphene

Christoph Groth wrote: T.C. Wu wrote: (...) because I cannot recover the conductance steps in QHE. Please check the QHE example in the Kwant paper. That example calculates conductance steps. I attach a honeycomb-lattice version of qhe.py that does show conductance steps. import math

Re: [Kwant] problem loading MUMPS: build.conf?

Becuwe Stefan wrote: So far so good, but … import kwant Current memory used: 416 bytes Maximum memory used: 416 bytes ***Memory allocation failed for OMETIS: cptr. Requested size: 3435973836824 bytes Segmentation fault (core dump made) Any ideas? Weird!

Re: [Kwant] problem loading MUMPS: build.conf?

Becuwe Stefan wrote: I have installed (in non standard directories) * MUMPS 5.0.1 * * SCOTCH 6.0.4 * METIS 5.1.0 (...) However, it seems something is going wrong since MUMPS cannot be loaded. I tried both kwant 1.0.5 and 1.1.1. (...) from kwant.linalg import mumps Traceback

Re: [Kwant] Kwant 1.1 has been released

Jörg Behrmann wrote: I've just updated the kwant package build to 1.1.0 on the AUR. Thanks! I saw 1.1.1 is already tagged in the git, will there be a notice when it hits http://downloads.kwant-project.org/kwant/ ? Right… it is now. By the way, the only difference between 1.1.0 and 1.1.1

Re: [Kwant] del sys[a(0,0)]

Dedi Setiabudidaya wrote: I would like to modify the scattering region by deleting some atoms.For example, I would like to delete 10 atoms and I did it by inserting ten lines of del sys [(,)] in my codes.I was wandering if there is a concise way to do that. Kwant builders behave like python

Re: [Kwant] About hoppingkind and Translational symmetry in hexagonal lattice

Hi Anant, lat.neighbors() returns nothing else than a list of HoppingKind instances. You can simply print it and have a look. In your case, the three HoppingKind objects that you create manually are identical to the ones returned by lat.neighbors(). Check it! The problem with your script

Re: [Kwant] Package for ubuntu vivid

David Abergel wrote: Is there any chance you could package it for {,k,x}ubuntu 15.04? I tried installing kwant in that linux today, using the 14.10 package, and I am getting a bunch of errors from Tkinter and matplotlib when I use kwant's inbuilt plotter. Up-to-date Kwant packages are now

Re: [Kwant] AUR build scripts for kwant and tinyarray

Hi Jörg, Thank you for updating the Arch packaging. I’ve updated the installation instructions following your suggestion. Christoph smime.p7s Description: S/MIME cryptographic signature

Re: [Kwant] AUR build scripts for kwant and tinyarray

Jörg Behrmann wrote: much appreciated. Could you maybe add the link [1] on "Arch install scripts" (the first three words of the paragraph)? Right, the link got lost during the change. Fixed. smime.p7s Description: S/MIME cryptographic signature

Re: [Kwant] AUR build scripts for kwant and tinyarray

Jörg Behrmann wrote: How can I actually test whether Kwant uses mumps? Try to “import kwant.solvers.mumps”. If this fails, the Kwant MUMPS solver does not work. The only warning I get is about my scipy missing umfpack. Is that the appropriate runtime warning? No, this is an independent

[Kwant] Discussing kwant development

Dear all, We would like to make it easier for the community to see what is going on in terms of Kwant development. We hope that this will provide useful feedback and lower the barrier for participation. As a first step, we have created a new mailing list called “kwant-devel”. The new list

Re: [Kwant] Python 3 support

Hi Joe, I think it’s OK if we require Python 3.4 for the Python 3 version of Kwant. This decision would only hurt people who are keen to use Python 3 with Kwant now, but who for some reason are bound to older versions of it. And these (very few or none, I suppose) people can just continue

Re: [Kwant] suggestion

Sergey wrote: Yes, such function would be definitely useful. Sometimes, it is useful to play with some reasonable, but a bit ad-hoc hoppings. I propose that that the function connect must take a function name crit as an input parameter. Where crit is a function taking two sites as

Re: [Kwant] suggestion

Sergey wrote: I use the following construction to connect the incommensurate lattices: lat_e (graphene) and lat_e1 (square) for x in list(lat_e1.shape(rectangle1, (0, 0))()): for neighbour in lat_e.sublattices[0].n_closest(x.pos): sys[(x,

[Kwant] 2 PhD positions in computational quantum theory (Grenoble)

at the Institute for Nanoscience and Cryogenics (INAC) of CEA Grenoble (France) over the course of three years under the supervision of Christoph Groth and Xavier Waintal in close collaboration with Michael Wimmer and Anton Akhmerov of Delft University of Technology (Netherlands). The city

[Kwant] Kwant user survey

Dear all, We have prepared a short (5 min) anonymous survey for users of Kwant. Please consider helping us by filling it out and do not hesitate to spread the word to others who might not be on this list. The survey is linked from the top of http://kwant-project.org/. It can be also

Re: [Kwant] Package for ubuntu vivid

Hi David, I’m aware that Kwant is not yet available in Ubuntu 15.04. It’s on my list of things to do, but frankly I have been too busy the last weeks to take care of it. I hope to have time next week to deal with it. For now you can try to install Kwant from source. This is very easy on

Re: [Kwant] bug in kwant installation requirement in PyPi

Joseph Weston wrote: Unfortunately it's not a 1-line fix just to add the dependencies, as numpy is imported within the setup.py script itself (so that we can get the numpy C headers; used for compiling the kwant modules written in Cython). I can't see a way around this using the current

Re: [Kwant] what is the wave function inside the system?

Dear Mariya, Kwant’s wave_function routine will give you the wave functions inside the scattering region due to all the modes of a lead that are incoming and propagating. Does this answer your question? Christoph smime.p7s Description: S/MIME cryptographic signature

Re: [Kwant] Appcrash for very large systems

Hello Sam, Thanks for your compliment about Kwant. The conductance calculation in your script needs about 1.4 GiB of RAM on my machine (Debian GNU/Linux, amd64 architecture). So while 500x1000 is large system, it should run with 2 GiB of RAM. See Fig. 7 of the Kwant paper for memory usage

Re: [Kwant] reproducing graphene magnetoresistance curve (Novoselov paper)

Hi Anant, You are welcome to ask for advice on this list about specific problems that you encounter while using Kwant. Please describe the problem that you experience and what you have already done about it. “My program does not work” is not a specific problem. Christoph smime.p7s

Re: [Kwant] bug in plotting a 3D system (matplotlib 1.4.3)

Cześć Rafał, The bug you describe has been fixed for Kwant 1.0.2. Unfortunately, the version available for Ubuntu right now is still 1.0.1. I plan to make a newer version available soon. If you need an immediate fix, you can install Kwant = 1.0.2 directly from source, it’s easy. Krzysiek

Re: [Kwant] Adding leads to a 4-layer system

Dear Kowk-Long Lee, There’s no limitation for the number of lattices (“site families”) of the sites of Builder objects (i. e. systems or leads). What you want to achieve should be perfectly possible. Let us know if there are any problems. Instead of using four stacked 2-d square lattices

Re: [Kwant] Building Kwant from tarball on Mac OSX

Hi Pol, I am developing Kwant on a computer that runs Debian “testing” and we run it in our lab on our cluster that runs Debian “stable”. Anton (and I believe Michael) are using Ubuntu. Debian-based Linuxes are the platform where Kwant is at home. You said that you don’t like Ubuntu’s

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