Dear sir,
I have generated the data set  (VH_z.dat file) for my structure using SISL
and generated its plot using gnuplot. And from that plot, I have taken
points 1 and 2 (given in the 1.5.png file) for calculating the
potential difference for my structure. But the potential difference that i
am getting is very small. So, could you please tell me if I am going in the
right direction?

On Mon, Sep 21, 2020 at 6:56 PM Nick Papior <nickpap...@gmail.com> wrote:

> How did you do it? How were your unit conversions etc.?
>
> Remember that sisl automatically converts to eV and Ang when reading
> siesta files.
>
> Den man. 21. sep. 2020 kl. 15.22 skrev Harkishan Dua <hdua.p...@gmail.com
> >:
>
>> We are working on a system similar to the paper attached. In the paper it
>> can be seen in Figure 1.(b) (page 15328) the potential plot where the
>> potential difference is visible. and with that they have made the Table 1
>> (page 15331) where they have taken the potential difference in volts.
>> In our work, we are creating the potential plots using SISL,
>> But in our work, even though we are getting potential difference which is
>> very small to be seen directly from the graph, yet when we convert it into
>> volts, we get a very large number. please help me with my doubt
>>
>> Regards
>> Harkishan Dua
>> PhD student
>> Department of Physics
>> Assam University Silchar.
>>
>> On Mon, Sep 7, 2020 at 12:24 PM Nick Papior <nickpap...@gmail.com> wrote:
>>
>>> Hi,
>>>
>>> Den søn. 6. sep. 2020 kl. 16.36 skrev Harkishan Dua <hdua.p...@gmail.com
>>> >:
>>>
>>>> Dear sir,
>>>> I am trying to generate the potential plot for monolayer CdS and
>>>> Bilayer CdS systems using sisl. and with that I am getting the plots of the
>>>> ones I have attached with this mail.There are some queries that I wished to
>>>> clarify:
>>>> 1. As both structures are planar Z coordinates are fixed for all the
>>>> atoms. So how I am getting potential for variation of Z near the proximity
>>>> of the regions where the atoms reside. As these are regions of empty space.
>>>>
>>> The plot you show is just the potential with respect to Z coordinate. So
>>> your atoms Z-coordinate can be directly transferred to this plot.
>>>
>>>> 2. When measuring distance between the two dips we are getting slightly
>>>> different values than that of the  interlayer distance of the structure. As
>>>> per my knowledge these two values should be the same.
>>>> I will be glad if you help me in this regard.
>>>>
>>> What does "slightly different" mean? The real-space grid is not
>>> infinitely precise, and so each voxel (3D box) occupies a finite space
>>> resulting in a finite discretization of the potential/density. I think
>>> you'll find that the voxel spacing (along Z) should correspond nicely with
>>> your mismatch.
>>>
>>>>
>>>> Attached with this email are the plots for CdS monolayer and Bilayer
>>>> systems.
>>>>
>>>> On Wed, Sep 2, 2020 at 2:11 PM Boubacar Traore <bt.bouba...@gmail.com>
>>>> wrote:
>>>>
>>>>> Thanks Nick for this update on sisl :-)
>>>>>
>>>>> On Tue, 1 Sep 2020 at 22:00, Nick Papior <nickpap...@gmail.com> wrote:
>>>>>
>>>>>> Hi,
>>>>>>
>>>>>> In this it seems you don't need the filtering that macroave is
>>>>>> capable of.
>>>>>> In that case you can use sisl to create the data for you.
>>>>>>
>>>>>> The command would be something like this:
>>>>>>
>>>>>> sgrid siesta.VH --average 0 --average 1 --out VH_z.dat
>>>>>>
>>>>>> which will write a 2 column data file with z coordinates (in Ang) as
>>>>>> the first and the plane-averaged potential in the 2nd column (in eV). 
>>>>>> Note
>>>>>> this is accessible in the latest sisl development, so you'll need to
>>>>>> install the development version (
>>>>>> http://zerothi.github.io/sisl/docs/latest/installation.html#development-version
>>>>>> ).
>>>>>>
>>>>>> The macroave calculations have only recently been added (by an
>>>>>> external contributor, see https://github.com/zerothi/sisl/pull/230),
>>>>>> but we haven't made a tutorial for this yet. ;)
>>>>>>
>>>>>>
>>>>>> Den man. 31. aug. 2020 kl. 22.00 skrev Boubacar Traore <
>>>>>> bt.bouba...@gmail.com>:
>>>>>>
>>>>>>> Hi,
>>>>>>>
>>>>>>>> I am trying to generate the potential plot using macroave and for
>>>>>>>> that I have taken the .XV file and made it to run it with the
>>>>>>>> macroave.in
>>>>>>>> <https://protection.puc.rediris.es/fmlurlsvc/?fewReq=:B:JVw4MzE7OCR0PzMsMiRrZj8yMzgyMyRxa2VsY3Z3cGc/MWY1YTA6YDJjY2dnM2EwZ2MyNzEwZzY0Z2EzZ2YwZDRnNDMyMjRkNyR2PzM3Ozo6NDE6NzUkc2tmPzI1VDprZ0xvMjM1NjoxLzI1VDprZ0xtMjM1NjoxJHBhcnY/cWtncXZjL25Cd2NvLGdxJGE/OzI=&url=http%3a%2f%2fmacroave.in>
>>>>>>>> file. But there are some queries that I have not understood regarding 
>>>>>>>> the
>>>>>>>> macroave.in
>>>>>>>> <https://protection.puc.rediris.es/fmlurlsvc/?fewReq=:B:JVw4MzE7OCR0PzMsMiRrZj8yMzgyMyRxa2VsY3Z3cGc/MWY1YTA6YDJjY2dnM2EwZ2MyNzEwZzY0Z2EzZ2YwZDRnNDMyMjRkNyR2PzM3Ozo6NDE6NzUkc2tmPzI1VDprZ0xvMjM1NjoxLzI1VDprZ0xtMjM1NjoxJHBhcnY/cWtncXZjL25Cd2NvLGdxJGE/OzI=&url=http%3a%2f%2fmacroave.in>
>>>>>>>> file. And I would be very glad if any one could help me in this regard.
>>>>>>>
>>>>>>> It's the .VH file that is needed  in your case.
>>>>>>>
>>>>>>>
>>>>>>>> 1. In the fourth line of macroave.in
>>>>>>>> <https://protection.puc.rediris.es/fmlurlsvc/?fewReq=:B:JVw4MzE7OCR0PzMsMiRrZj8yMzgyMyRxa2VsY3Z3cGc/MWY1YTA6YDJjY2dnM2EwZ2MyNzEwZzY0Z2EzZ2YwZDRnNDMyMjRkNyR2PzM3Ozo6NDE6NzUkc2tmPzI1VDprZ0xvMjM1NjoxLzI1VDprZ0xtMjM1NjoxJHBhcnY/cWtncXZjL25Cd2NvLGdxJGE/OzI=&url=http%3a%2f%2fmacroave.in>
>>>>>>>> file we need to mention how many step functions we need to smooth. And 
>>>>>>>> I am
>>>>>>>> working on a bilayer system so I wish to know whether I should take 
>>>>>>>> surface
>>>>>>>> or interface calculation in this regard (appeded below is the fdf file 
>>>>>>>> of
>>>>>>>> the calculation that I am running). What would be the case for trilayer
>>>>>>>> system?
>>>>>>>>
>>>>>>> Your bi-layer system consists of layers of the same type. So,
>>>>>>> "surface" should do the job. "Interface" is for heterstructures or
>>>>>>> hetero-layers with different materials. Anyway, you may try both and see
>>>>>>> the difference.
>>>>>>>
>>>>>>>
>>>>>>>> 2. In the Fifth and Sixth line of macroave.in
>>>>>>>> <https://protection.puc.rediris.es/fmlurlsvc/?fewReq=:B:JVw4MzE7OCR0PzMsMiRrZj8yMzgyMyRxa2VsY3Z3cGc/MWY1YTA6YDJjY2dnM2EwZ2MyNzEwZzY0Z2EzZ2YwZDRnNDMyMjRkNyR2PzM3Ozo6NDE6NzUkc2tmPzI1VDprZ0xvMjM1NjoxLzI1VDprZ0xtMjM1NjoxJHBhcnY/cWtncXZjL25Cd2NvLGdxJGE/OzI=&url=http%3a%2f%2fmacroave.in>
>>>>>>>> file we need to mention the width of the two functions like planar 
>>>>>>>> lattice
>>>>>>>> spacing. I am not able to understand what quantity it is asking. 
>>>>>>>> Should I
>>>>>>>> specify the the interlayer distance? what should be these values for my
>>>>>>>> input given below? What would be the case for multilayer system? and 
>>>>>>>> if the
>>>>>>>> system has buckling, then how should I chose these values?
>>>>>>>>
>>>>>>> What macroave does is nothing but averaging the potential/density in
>>>>>>> the plane and filtering it out  let's say along z-direction.  The two
>>>>>>> functions ( for interface) or one function (for surface) are for the
>>>>>>> filtering purpose. In the filtering step, macroave performs 
>>>>>>> convolutions.
>>>>>>> The length is about the unit cell length or cell period along z. See 
>>>>>>> this
>>>>>>> reference paper of Junquera et al. for more detail:
>>>>>>> 10.1088/0953-8984/19/21/213203
>>>>>>> <https://doi.org/10.1088/0953-8984/19/21/213203>
>>>>>>>
>>>>>>>
>>>>>>>> 3.In the 7th line, of macroave.in
>>>>>>>> <https://protection.puc.rediris.es/fmlurlsvc/?fewReq=:B:JVw4MzE7OCR0PzMsMiRrZj8yMzgyMyRxa2VsY3Z3cGc/MWY1YTA6YDJjY2dnM2EwZ2MyNzEwZzY0Z2EzZ2YwZDRnNDMyMjRkNyR2PzM3Ozo6NDE6NzUkc2tmPzI1VDprZ0xvMjM1NjoxLzI1VDprZ0xtMjM1NjoxJHBhcnY/cWtncXZjL25Cd2NvLGdxJGE/OzI=&url=http%3a%2f%2fmacroave.in>
>>>>>>>> file we need to specify the number of electrons in the slab. Here I 
>>>>>>>> wanted
>>>>>>>> to know that suppose I am working on a carbon based bilayer system, do 
>>>>>>>> I
>>>>>>>> need to take the valence electrons or all the 6 electrons and multiply 
>>>>>>>> it
>>>>>>>> with the number of carbon atoms on each layer?
>>>>>>>>
>>>>>>> Yes, but in carbon you have 4 valence electrons. Remember that this
>>>>>>> is important only when you use macroave with charge densities (.RHO 
>>>>>>> file);
>>>>>>> it is used for normalization. To get the total number of electrons, you 
>>>>>>> can
>>>>>>> also do :
>>>>>>> grep "Total number of electrons" SystemLabel.out
>>>>>>>
>>>>>>> 4. And  in running the macroave calculation, I am getting two
>>>>>>>> generated files with the calculation with extensions MAV and PAV. what 
>>>>>>>> is
>>>>>>>> the difference between macroscopic average and the planar average 
>>>>>>>> files?
>>>>>>>>
>>>>>>> PAV : is the averaged density/potential in the plane of the system
>>>>>>> along z.
>>>>>>> MAV : is the filtered  or nano smoothed density/potential along z.
>>>>>>> Here, the oscillatory part is removed and the filter functions are used 
>>>>>>> for
>>>>>>> that.
>>>>>>>
>>>>>>> Best,
>>>>>>> Boubacar
>>>>>>>
>>>>>>> On Sat, 29 Aug 2020 at 20:56, Harkishan Dua <hdua.p...@gmail.com>
>>>>>>> wrote:
>>>>>>>
>>>>>>>> Dear sir/ma'am
>>>>>>>> I am trying to generate the potential plot using macroave and for
>>>>>>>> that I have taken the .XV file and made it to run it with the
>>>>>>>> macroave.in
>>>>>>>> <https://protection.puc.rediris.es/fmlurlsvc/?fewReq=:B:JVw4MzE7OCR0PzMsMiRrZj8yMzgyMyRxa2VsY3Z3cGc/MWY1YTA6YDJjY2dnM2EwZ2MyNzEwZzY0Z2EzZ2YwZDRnNDMyMjRkNyR2PzM3Ozo6NDE6NzUkc2tmPzI1VDprZ0xvMjM1NjoxLzI1VDprZ0xtMjM1NjoxJHBhcnY/cWtncXZjL25Cd2NvLGdxJGE/OzI=&url=http%3a%2f%2fmacroave.in>
>>>>>>>> file. But there are some queries that I have not understood regarding 
>>>>>>>> the
>>>>>>>> macroave.in
>>>>>>>> <https://protection.puc.rediris.es/fmlurlsvc/?fewReq=:B:JVw4MzE7OCR0PzMsMiRrZj8yMzgyMyRxa2VsY3Z3cGc/MWY1YTA6YDJjY2dnM2EwZ2MyNzEwZzY0Z2EzZ2YwZDRnNDMyMjRkNyR2PzM3Ozo6NDE6NzUkc2tmPzI1VDprZ0xvMjM1NjoxLzI1VDprZ0xtMjM1NjoxJHBhcnY/cWtncXZjL25Cd2NvLGdxJGE/OzI=&url=http%3a%2f%2fmacroave.in>
>>>>>>>> file. And I would be very glad if any one could help me in this regard.
>>>>>>>>
>>>>>>>> 1. In the fourth line of macroave.in
>>>>>>>> <https://protection.puc.rediris.es/fmlurlsvc/?fewReq=:B:JVw4MzE7OCR0PzMsMiRrZj8yMzgyMyRxa2VsY3Z3cGc/MWY1YTA6YDJjY2dnM2EwZ2MyNzEwZzY0Z2EzZ2YwZDRnNDMyMjRkNyR2PzM3Ozo6NDE6NzUkc2tmPzI1VDprZ0xvMjM1NjoxLzI1VDprZ0xtMjM1NjoxJHBhcnY/cWtncXZjL25Cd2NvLGdxJGE/OzI=&url=http%3a%2f%2fmacroave.in>
>>>>>>>> file we need to mention how many step functions we need to smooth. And 
>>>>>>>> I am
>>>>>>>> working on a bilayer system so I wish to know whether I should take 
>>>>>>>> surface
>>>>>>>> or interface calculation in this regard (appeded below is the fdf file 
>>>>>>>> of
>>>>>>>> the calculation that I am running). What would be the case for trilayer
>>>>>>>> system?
>>>>>>>>
>>>>>>>> 2. In the Fifth and Sixth line of macroave.in
>>>>>>>> <https://protection.puc.rediris.es/fmlurlsvc/?fewReq=:B:JVw4MzE7OCR0PzMsMiRrZj8yMzgyMyRxa2VsY3Z3cGc/MWY1YTA6YDJjY2dnM2EwZ2MyNzEwZzY0Z2EzZ2YwZDRnNDMyMjRkNyR2PzM3Ozo6NDE6NzUkc2tmPzI1VDprZ0xvMjM1NjoxLzI1VDprZ0xtMjM1NjoxJHBhcnY/cWtncXZjL25Cd2NvLGdxJGE/OzI=&url=http%3a%2f%2fmacroave.in>
>>>>>>>> file we need to mention the width of the two functions like planar 
>>>>>>>> lattice
>>>>>>>> spacing. I am not able to understand what quantity it is asking. 
>>>>>>>> Should I
>>>>>>>> specify the the interlayer distance? what should be these values for my
>>>>>>>> input given below? What would be the case for multilayer system? and 
>>>>>>>> if the
>>>>>>>> system has buckling, then how should I chose these values?
>>>>>>>>
>>>>>>>> 3.In the 7th line, of macroave.in
>>>>>>>> <https://protection.puc.rediris.es/fmlurlsvc/?fewReq=:B:JVw4MzE7OCR0PzMsMiRrZj8yMzgyMyRxa2VsY3Z3cGc/MWY1YTA6YDJjY2dnM2EwZ2MyNzEwZzY0Z2EzZ2YwZDRnNDMyMjRkNyR2PzM3Ozo6NDE6NzUkc2tmPzI1VDprZ0xvMjM1NjoxLzI1VDprZ0xtMjM1NjoxJHBhcnY/cWtncXZjL25Cd2NvLGdxJGE/OzI=&url=http%3a%2f%2fmacroave.in>
>>>>>>>> file we need to specify the number of electrons in the slab. Here I 
>>>>>>>> wanted
>>>>>>>> to know that suppose I am working on a carbon based bilayer system, do 
>>>>>>>> I
>>>>>>>> need to take the valence electrons or all the 6 electrons and multiply 
>>>>>>>> it
>>>>>>>> with the number of carbon atoms on each layer?
>>>>>>>>
>>>>>>>> 4. And  in running the macroave calculation, I am getting two
>>>>>>>> generated files with the calculation with extensions MAV and PAV. what 
>>>>>>>> is
>>>>>>>> the difference between macroscopic average and the planar average 
>>>>>>>> files?
>>>>>>>>
>>>>>>>> appended below is the fdf file
>>>>>>>>
>>>>>>>>  # System Descriptor
>>>>>>>>  SystemName Au-m-GGA
>>>>>>>>  SystemLabel   Au-m-GGA
>>>>>>>>
>>>>>>>>  NumberOfAtoms                36
>>>>>>>>  NumberOfSpecies               1
>>>>>>>>
>>>>>>>>  %block Chemical_Species_Label
>>>>>>>>  1      6     C
>>>>>>>>  %endblock Chemical_Species_Label
>>>>>>>>
>>>>>>>>  %block PAO.BasisSizes
>>>>>>>> C       DZP
>>>>>>>>  %endblock PAO.BasisSizes
>>>>>>>>
>>>>>>>>  AtomicCoordinatesFormat Ang
>>>>>>>>  AtomicCoorFormatOut     Ang
>>>>>>>>
>>>>>>>>  %block AtomicCoordinatesAndAtomicSpecies
>>>>>>>>     2.73256850    4.73073748    8.34901293   1       1  C
>>>>>>>>     0.33859744    0.58458484    8.34912362   1       2  C
>>>>>>>>    -0.85804026    2.65775355    8.34874884   1       3  C
>>>>>>>>     3.92917251    2.65751886    8.34898485   1       4  C
>>>>>>>>     2.73233932    0.58476470    8.34903393   1       5  C
>>>>>>>>     0.33877634    4.73053116    8.34871091   1       6  C
>>>>>>>>     0.82428376    1.42604781    9.53348231   1       7  C
>>>>>>>>     0.11321792    2.65772943    9.53337950   1       8  C
>>>>>>>>     2.95787834    2.65763647    9.53348398   1       9  C
>>>>>>>>     2.24672706    1.42590432    9.53355328   1      10  C
>>>>>>>>     0.82436502    3.88944295    9.53333025   1      11  C
>>>>>>>>     2.24666573    3.88939178    9.53337329   1      12  C
>>>>>>>>     0.82483542    3.88883163    7.16411390   1      13  C
>>>>>>>>     2.24657899    3.88894521    7.16435350   1      14  C
>>>>>>>>     2.24653140    1.42631958    7.16432757   1      15  C
>>>>>>>>     2.95739219    2.65752906    7.16429019   1      16  C
>>>>>>>>     0.11396438    2.65763067    7.16415136   1      17  C
>>>>>>>>     0.82463967    1.42629661    7.16443629   1      18  C
>>>>>>>>     2.73291473    4.73053968   14.14109530   1      19  C
>>>>>>>>     0.33894801    0.58439532   14.14115704   1      20  C
>>>>>>>>    -0.85769340    2.65763741   14.14124979   1      21  C
>>>>>>>>     3.92955252    2.65738270   14.14146264   1      22  C
>>>>>>>>     2.73272063    0.58460272   14.14145918   1      23  C
>>>>>>>>     0.33914193    4.73040180   14.14121034   1      24  C
>>>>>>>>     0.82486919    1.42621461   15.32582034   1      25  C
>>>>>>>>     0.11415085    2.65758543   15.32595201   1      26  C
>>>>>>>>     2.95757515    2.65747612   15.32604007   1      27  C
>>>>>>>>     2.24668741    1.42628537   15.32605337   1      28  C
>>>>>>>>     0.82500484    3.88880084   15.32591913   1      29  C
>>>>>>>>     2.24685285    3.88886448   15.32578554   1      30  C
>>>>>>>>     0.82480401    3.88921354   12.95669401   1      31  C
>>>>>>>>     2.24717950    3.88910615   12.95674799   1      32  C
>>>>>>>>     2.24716059    1.42567539   12.95683394   1      33  C
>>>>>>>>     2.95832448    2.65739945   12.95681228   1      34  C
>>>>>>>>     0.11365578    2.65750271   12.95674170   1      35  C
>>>>>>>>     0.82477007    1.42578489   12.95679594   1      36  C
>>>>>>>>  %endblock AtomicCoordinatesAndAtomicSpecies
>>>>>>>>  LatticeConstant    1.00 Ang
>>>>>>>>
>>>>>>>>  %block LatticeVectors
>>>>>>>>         6.138500    0.000081    0.000273
>>>>>>>>        -3.068830    5.316279   -0.000326
>>>>>>>>         0.001847   -0.001238   22.490288
>>>>>>>>  %endblock LatticeVectors
>>>>>>>>   %block kgrid_Monkhorst_Pack
>>>>>>>>  10   0   0 0.0
>>>>>>>>  0   10   0 0.0
>>>>>>>>  0    0   2 0.0
>>>>>>>>  %endblock kgrid_Monkhorst_Pack
>>>>>>>>
>>>>>>>>  XC.functional           VDW
>>>>>>>>  XC.authors              LMKLL
>>>>>>>>  SpinPolarized           .true.
>>>>>>>>  MeshCutoff              320. Ry
>>>>>>>>  MaxSCFIterations        300
>>>>>>>>  DM.MixingWeight         0.05
>>>>>>>>  DM.Tolerance            5.d-5
>>>>>>>>  DM.NumberPulay          5
>>>>>>>>  SolutionMethod          diagon
>>>>>>>>  ElectronicTemperature   300 K
>>>>>>>>  MD.TypeOfRun            cg
>>>>>>>>  MD.VariableCell         .true.
>>>>>>>>  MD.NumCGsteps           800
>>>>>>>>  MD.MaxForceTol          0.01 eV/Ang
>>>>>>>>
>>>>>>>>  WriteCoorInitial
>>>>>>>>  WriteCoorStep
>>>>>>>>  WriteCoorXmol           .true.
>>>>>>>>  WriteKpoints            .true.
>>>>>>>>  WriteEigenvalues        .true.
>>>>>>>>  WriteKbands             .true.
>>>>>>>>  WriteBands              .true.
>>>>>>>>  WriteMullikenPop        1
>>>>>>>>  WriteMDCoorXmol         .false.
>>>>>>>>  WriteMDhistory          .false.
>>>>>>>>  DM.UseSaveDM
>>>>>>>>  MD.UseSaveXV            .true.
>>>>>>>>  SaveRho
>>>>>>>>  SaveDeltaRho
>>>>>>>>  SaveElectrostaticPotential .true.
>>>>>>>>  WriteSiestaDim          .true.
>>>>>>>>  SaveHS                  .true.
>>>>>>>>
>>>>>>>> On Sat, Aug 29, 2020 at 1:30 AM Boubacar Traore <
>>>>>>>> bt.bouba...@gmail.com> wrote:
>>>>>>>>
>>>>>>>>> Hi,
>>>>>>>>>
>>>>>>>>> For this,  you need to activate this tag "SaveElectrostaticPotential"
>>>>>>>>> to true for siesta to generate the total electrostatic potential file 
>>>>>>>>> named
>>>>>>>>> SystemLabel.VH. Then you use siesta utility "macroave" from 
>>>>>>>>> Util/macroave
>>>>>>>>> directory to plot the variation of the potential along the layers.
>>>>>>>>> Best,
>>>>>>>>> Boubacar
>>>>>>>>>
>>>>>>>>>
>>>>>>>>> On Wed, 26 Aug 2020 at 22:00, Harkishan Dua <hdua.p...@gmail.com>
>>>>>>>>> wrote:
>>>>>>>>>
>>>>>>>>>> Dear Sir/Ma’am
>>>>>>>>>>
>>>>>>>>>> I am new to siesta, and I wish to find the variation of potential
>>>>>>>>>> in a bilayer system with respect to the distance between the layers. 
>>>>>>>>>> Could
>>>>>>>>>> you please tell me how I can do that with siesta? I wish to generate 
>>>>>>>>>> a plot
>>>>>>>>>> similar to the one attached along with this mail which was reported 
>>>>>>>>>> in the
>>>>>>>>>> paper
>>>>>>>>>>
>>>>>>>>>> https://doi.org/10.1021/jp403706e
>>>>>>>>>>
>>>>>>>>>> --
>>>>>>>>>> SIESTA is supported by the Spanish Research Agency (AEI) and by
>>>>>>>>>> the European H2020 MaX Centre of Excellence (
>>>>>>>>>> http://www.max-centre.eu/)
>>>>>>>>>>
>>>>>>>>>
>>>>>>>>> --
>>>>>>>>> SIESTA is supported by the Spanish Research Agency (AEI) and by
>>>>>>>>> the European H2020 MaX Centre of Excellence (
>>>>>>>>> http://www.max-centre.eu/)
>>>>>>>>>
>>>>>>>>
>>>>>>> --
>>>>>>> SIESTA is supported by the Spanish Research Agency (AEI) and by the
>>>>>>> European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
>>>>>>>
>>>>>>
>>>>>>
>>>>>> --
>>>>>> Kind regards Nick
>>>>>>
>>>>>> --
>>>>>> SIESTA is supported by the Spanish Research Agency (AEI) and by the
>>>>>> European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
>>>>>>
>>>>>
>>>
>>> --
>>> Kind regards Nick
>>>
>>
>
> --
> Kind regards Nick
>

Attachment: VH_z.dat
Description: Binary data

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