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This group is a forum for all users of the vampire atomistic simulation software package to discuss any issues related to running and compiling the software and future developments of the code, i.e. feature requests.

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Jul 20

POV-Ray cross-sectional view of a core-shell

Hello VAMPIRE users! I would like to know if there is a way to run POV-Ray on a core-shell

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POV-Ray cross-sectional view of a core-shell

Hello VAMPIRE users! I would like to know if there is a way to run POV-Ray on a core-shell

Jul 20

Jul 15

spins in AFM compound are not polarized above Neel temperature even in 100 T magnetic field

Hello, I am struggling to properly implement a magnetic field for a system I am working on. Basically

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spins in AFM compound are not polarized above Neel temperature even in 100 T magnetic field

Hello, I am struggling to properly implement a magnetic field for a system I am working on. Basically

Jul 15

Sophie Weber, Luke Elliott3

Jul 15

equilibration phase versus "statistics" phase?

Thank you so much Luke! This is very helpful. Best Sophie On Thursday, July 11, 2024 at 2:50:11 AM

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equilibration phase versus "statistics" phase?

Thank you so much Luke! This is very helpful. Best Sophie On Thursday, July 11, 2024 at 2:50:11 AM

Jul 15

Mohammad Abu Jasem, gabo...@gmail.com2

Jul 15

About adding Material parameters

Regarding the "Dzyaloshinskii-Moriya interaction (not into ucf file)", I recall there was

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About adding Material parameters

Regarding the "Dzyaloshinskii-Moriya interaction (not into ucf file)", I recall there was

Jul 15

atwork...@gmail.com, Richard Evans2

Jul 12

The susceptibility in VAMPIRE is usually for a single domain state, so very hard to magnetise more at

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The susceptibility in VAMPIRE is usually for a single domain state, so very hard to magnetise more at

Jul 12

AMRENDRA KUMAR, Luke Elliott3

Jul 10

Why the monte carlo integrator is having different probability of acceptance and rejection ?

Hi Amrendra, There are two parts to this question; what is the Monte-Carlo integrator, and why are

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Why the monte carlo integrator is having different probability of acceptance and rejection ?

Hi Amrendra, There are two parts to this question; what is the Monte-Carlo integrator, and why are

Jul 10

Shabeer ali pc, gabo...@gmail.com2

Jul 9

a) WIEN2k does not directly output Jij values. They can be post calculated in some cases but that can

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a) WIEN2k does not directly output Jij values. They can be post calculated in some cases but that can

Jul 9

Shabeer ali pc, F Ξ L I P Ξ3

Jul 9

FRACTION OF ALLOYS

Hi sir' now the steps are ok?? SHABEER ALI PC Senior Research Fellow Functional Materials, Center

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FRACTION OF ALLOYS

Hi sir' now the steps are ok?? SHABEER ALI PC Senior Research Fellow Functional Materials, Center

Jul 9

hamedv...@gmail.com2

Jul 8

Initialization from file

To clarify more, cs_set_atom_vars2.cpp reads the spins_initial.dat file to initialize. The

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Initialization from file

To clarify more, cs_set_atom_vars2.cpp reads the spins_initial.dat file to initialize. The

Jul 8

Tharindu Fernando

Jul 8

How to specify anisotropic exchange in triangular lattice?

Hi, I have a triangular lattice system (of a single atom type) with NN, 2NN and 3NN anisotropic

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How to specify anisotropic exchange in triangular lattice?

Hi, I have a triangular lattice system (of a single atom type) with NN, 2NN and 3NN anisotropic

Jul 8

Sophie Weber, gabo...@gmail.com4

Jul 6

Quick clarification on magnetization output

Thanks this is helpful, I appreciate it. Related to your point on magnetic fields, I'm not doing

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Quick clarification on magnetization output

Thanks this is helpful, I appreciate it. Related to your point on magnetic fields, I'm not doing

Jul 6

Hamed Vakili, gabo...@gmail.com2

Jul 6

Re: AFM magnetization

In the more recent versions of VAMPIRE, you sometimes need the unit-cell-category: https://groups.

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Re: AFM magnetization

In the more recent versions of VAMPIRE, you sometimes need the unit-cell-category: https://groups.

Jul 6

Loris Naudin, … Richard Evans8

Jul 5

Ground state of NiI2 inconsistent with DFT

Thanks for the tip, I will try that too, and update here if I find something relevant (or not) Best

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Ground state of NiI2 inconsistent with DFT

Thanks for the tip, I will try that too, and update here if I find something relevant (or not) Best

Jul 5

fateme heydari nasab, … F Ξ L I P Ξ4

Jul 4

Visualization problem

You can use the command: util/vdc/vdc --xyz and util/vdc/vdc --povray Em qui., 4 de jul. de 2024, 04:

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Visualization problem

You can use the command: util/vdc/vdc --xyz and util/vdc/vdc --povray Em qui., 4 de jul. de 2024, 04:

Jul 4

fateme heydari nasab

Jul 4

Hello dear Vampire users, 1- I want to visualize the bilayer tutorial in the: https://vampire.york.ac

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Hello dear Vampire users, 1- I want to visualize the bilayer tutorial in the: https://vampire.york.ac

Jul 4

Tharindu Fernando, Richard Evans3

Jul 3

How to simulate a triangular lattice?

Hi Richard, Thank you very much for your prompt response! Would you mind helping me further? I have a

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How to simulate a triangular lattice?

Hi Richard, Thank you very much for your prompt response! Would you mind helping me further? I have a

Jul 3

tom.chau...@gmail.com, gabo...@gmail.com7

Jul 3

Actual magnetization

Something I forgot to mention related to your question. In VAMPIRE, you have probably seen how you

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Actual magnetization

Something I forgot to mention related to your question. In VAMPIRE, you have probably seen how you

Jul 3

shaowen xu, gabo...@gmail.com2

Jun 30

ask help for electrical pluse

It looks like the electrical strength is set with: spin-transport:applied-voltage=5.0 !Volts The spin

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ask help for electrical pluse

It looks like the electrical strength is set with: spin-transport:applied-voltage=5.0 !Volts The spin

Jun 30

tom.chau...@gmail.com, gabo...@gmail.com4

Jun 30

Normalized magnetization

I don't have an answer for your first question. Regarding the 2nd question, three possibilities

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Normalized magnetization

I don't have an answer for your first question. Regarding the 2nd question, three possibilities

Jun 30

Somnath Jana, gabo...@gmail.com3

Jun 29

Doubt about creating unit cell of multiple elements

can I simply skip this part in the .ucf file and write in the material file At [1], you should see

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Doubt about creating unit cell of multiple elements

can I simply skip this part in the .ucf file and write in the material file At [1], you should see

Jun 29

Mohammad Abu Jasem

Jun 28

About calculating interactions list and exchange interaction

I calculate the position of atoms of my crystal. Now I want to make the list of interactions(#

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About calculating interactions list and exchange interaction

I calculate the position of atoms of my crystal. Now I want to make the list of interactions(#

Jun 28

Mohammad Abu Jasem, gabo...@gmail.com2

Jun 28

Help me to create .ucf file

For getting a better understanding of the unit cell file (ucf), I would suggest the youtube video [1]

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Help me to create .ucf file

For getting a better understanding of the unit cell file (ucf), I would suggest the youtube video [1]

Jun 28

Somnath Jana, Richard Evans2

Jun 27

Obtaining <m^2> from curie temperature calculation

Hi, This would require source code modification to do, but contributions are welcome. Have a look at

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Obtaining <m^2> from curie temperature calculation

Hi, This would require source code modification to do, but contributions are welcome. Have a look at

Jun 27

tom.chau...@gmail.com, gabo...@gmail.com2

Jun 26

Material simulation

From looking at [1] and [2], Fe7S8, unfortunately, looks like it has a hexagonal unit cell that is

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Material simulation

From looking at [1] and [2], Fe7S8, unfortunately, looks like it has a hexagonal unit cell that is

Jun 26

shaowen xu, gabo...@gmail.com2

Jun 24

ask for help to applied electric field by vampire code

By that, if you mean "sim:program=electrical-pulse", the develop branch is needed for that

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ask for help to applied electric field by vampire code

By that, if you mean "sim:program=electrical-pulse", the develop branch is needed for that

Jun 24

Jun 24

lower than 1 magnetization at 0K for Tc calculation

Dear Vampire users, I currently trying to calculation Curie temperature of my system using monte-

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lower than 1 magnetization at 0K for Tc calculation

Dear Vampire users, I currently trying to calculation Curie temperature of my system using monte-

Jun 24

gabo...@gmail.com

Jun 23

Re: Pyrite FeS2 material simulation

Figure 1 A of FeS2 from [1]: My suggestion would be to define the structure using both FeSe2.mat and

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Re: Pyrite FeS2 material simulation

Figure 1 A of FeS2 from [1]: My suggestion would be to define the structure using both FeSe2.mat and

Jun 23

danial asad, gabo...@gmail.com3

Jun 21

error due to limit on maximum number of atoms

Dear Gavin, Thanks for your kind and timely help! Best On Sat, 22 Jun 2024, 12:43 gabo...@gmail.com,

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error due to limit on maximum number of atoms

Dear Gavin, Thanks for your kind and timely help! Best On Sat, 22 Jun 2024, 12:43 gabo...@gmail.com,

Jun 21

Shabeer ali pc, gabo...@gmail.com2

Jun 19

Something that I have noticed in your Mn2NiSn.mat is that you have: material[1]:unit-cell-category=4

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Something that I have noticed in your Mn2NiSn.mat is that you have: material[1]:unit-cell-category=4

Jun 19

marco menarini, … gabo...@gmail.com5

Jun 19

Reproducing Results for Ultrafast Demagnetization (Evans 2015)

In your material.mat, one line you have is: material[1]:damping-constant=1 On page 5 in [1], there is

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Reproducing Results for Ultrafast Demagnetization (Evans 2015)

In your material.mat, one line you have is: material[1]:damping-constant=1 On page 5 in [1], there is

Jun 19

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