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Brynn Karst, Mit Naik4

Jan 10

Inquiry About Using Twister for Constructing Trilayer TMDs

Dear Professor, I hope to have two distinct twist angles between the layers. I have seen some methods

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Inquiry About Using Twister for Constructing Trilayer TMDs

Dear Professor, I hope to have two distinct twist angles between the layers. I have seen some methods

Jan 10

Neil Christian, Indrajit Maity2

Jan 8

The compilation issue of LAMMPS after modifying the pair_sw.cpp file; the relaxation issue of the graphene force field.

Hi Neil, You do not need to replace pair_sw.cpp for Graphene or TMDs if you are using the latest

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The compilation issue of LAMMPS after modifying the pair_sw.cpp file; the relaxation issue of the graphene force field.

Hi Neil, You do not need to replace pair_sw.cpp for Graphene or TMDs if you are using the latest

Jan 8

Jan 4

The compilation issue of LAMMPS after modifying the pair_sw.cpp file; the relaxation issue of the graphene force field.

Here are the compiling errors. 在2025年1月5日星期日 UTC+8 10:39:10<Neil Xu> 写道： Dear Developer, Thank

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The compilation issue of LAMMPS after modifying the pair_sw.cpp file; the relaxation issue of the graphene force field.

Here are the compiling errors. 在2025年1月5日星期日 UTC+8 10:39:10<Neil Xu> 写道： Dear Developer, Thank

Jan 4

sani abdulkareem

12/7/24

Moirre Superlattice

Dear twister community, I have been trying to generate a Moirre pattern in WSe2/WS2 heterostructure

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Moirre Superlattice

Dear twister community, I have been trying to generate a Moirre pattern in WSe2/WS2 heterostructure

12/7/24

sani abdulkareem, Indrajit Maity2

11/7/24

preparing get_ang.inp

Hi Sani, " I tried running get_ang.py many times but couldn't find a solution. I guess my

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preparing get_ang.inp

Hi Sani, " I tried running get_ang.py many times but couldn't find a solution. I guess my

11/7/24

Brynn Karst, Mit Naik2

10/24/24

Inquiry Regarding Twister and Moiré Superlattice Construction in Twisted MoS2

Hi Bryan, Twists 58.4 and 61.6 yield identical moiré patterns. So it is reasonable to start with AB

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Inquiry Regarding Twister and Moiré Superlattice Construction in Twisted MoS2

Hi Bryan, Twists 58.4 and 61.6 yield identical moiré patterns. So it is reasonable to start with AB

10/24/24

张云, Indrajit Maity2

9/18/24

The limit for the number of atoms in "basis_pos_crys"

Hi Sylar, I'm not entirely sure why you're unable to find all the atoms within the

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The limit for the number of atoms in "basis_pos_crys"

Hi Sylar, I'm not entirely sure why you're unable to find all the atoms within the

9/18/24

Anikeya Aditya, Indrajit Maity7

9/5/24

Comapring KC-n and KC-z

Thank you very much for the quick response. I see, so to confirm only get_ang.py can use mpi and

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Comapring KC-n and KC-z

Thank you very much for the quick response. I see, so to confirm only get_ang.py can use mpi and

9/5/24

Gayani Pallewela, Indrajit Maity16

9/3/24

Benchmarking WSe2 relaxation

I have successfully reproduced the simulated annealing (SA) results for WSe2. * Well done! Would it

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Benchmarking WSe2 relaxation

I have successfully reproduced the simulated annealing (SA) results for WSe2. * Well done! Would it

9/3/24

Brynn Karst, Indrajit Maity3

9/3/24

Question on Setting Up basis_pos Files for Twister

Another comment to add: Please take a look at the lattice vectors a_i of materials project and

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Question on Setting Up basis_pos Files for Twister

Another comment to add: Please take a look at the lattice vectors a_i of materials project and

9/3/24

Gayani Pallewela2

5/30/24

WSe2 bilayer with biaxial strain

O have updated the file. But have the following error. Can you please comment on this Note: Since

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WSe2 bilayer with biaxial strain

O have updated the file. But have the following error. Can you please comment on this Note: Since

5/30/24

Gayani Pallewela, Indrajit Maity2

4/29/24

Relaxation of WSe2 bilayer

Hi Gayani, Short answer: They are the same. If you use SW then you need to modify pair_sw.cpp and

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Relaxation of WSe2 bilayer

Hi Gayani, Short answer: They are the same. If you use SW then you need to modify pair_sw.cpp and

4/29/24

Gayani Pallewela, … Indrajit Maity17

4/21/24

Relaxation of WSe2

Hi Indrajith, Can you please find the attached data files. Can you access these. Thanks Gayani On

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Relaxation of WSe2

Hi Indrajith, Can you please find the attached data files. Can you access these. Thanks Gayani On

4/21/24

Gayani Pallewela

3/19/24

increase the decimal places of the x y z coordinates

Dear all, I'm trying to increase the decimal places of output file. dump 1 all custom

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increase the decimal places of the x y z coordinates

Dear all, I'm trying to increase the decimal places of output file. dump 1 all custom

3/19/24

3/14/24

g-C3N4 superlattice

Hi, im trying to construct a Moire superlattice for g-C3N4, but for some reason after running the

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g-C3N4 superlattice

Hi, im trying to construct a Moire superlattice for g-C3N4, but for some reason after running the

3/14/24

Ajit Singh Jhala, Indrajit Maity6

3/4/24

Interlayer Layer distance is too large aprrox 100 Angstrom after Lammps relaxation .

Hi Ajit, You may want to check SIESTA manual and follow the discussions for the same. Based on a

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Interlayer Layer distance is too large aprrox 100 Angstrom after Lammps relaxation .

Hi Ajit, You may want to check SIESTA manual and follow the discussions for the same. Based on a

3/4/24

Ajit Singh Jhala

12/5/23

Computational Requirement for Performing Band structure Calculation

Hello Sir, I am using Twister for Mos2/Mose2 Bi layer hetrostrucutre . I want to know that what is

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Computational Requirement for Performing Band structure Calculation

Hello Sir, I am using Twister for Mos2/Mose2 Bi layer hetrostrucutre . I want to know that what is

12/5/23

11/15/23

Error of "requires hybrid/overlay pair_style"

Hi, Thank you for the excellent software. I run the example of Twister/FFRelaxation/mos2_mose2/

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Error of "requires hybrid/overlay pair_style"

Hi, Thank you for the excellent software. I run the example of Twister/FFRelaxation/mos2_mose2/

11/15/23

8/28/23

"No solution found" for example/TwistBP

I download it from https://github.com/qtm-iisc/Twister and run the get_angle.py for get_ang.inp in

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"No solution found" for example/TwistBP

I download it from https://github.com/qtm-iisc/Twister and run the get_angle.py for get_ang.inp in

8/28/23

8/10/23

Problem of large rotation angle structures of twisted bP

Dear all, Thanks for your helpful software. I'm facing one problem in generating large rotation

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Problem of large rotation angle structures of twisted bP

Dear all, Thanks for your helpful software. I'm facing one problem in generating large rotation

8/10/23

8/6/23

Control pre-twist stacking order and direction of twist?

Dear Twister team, thank you for the great and helpful software. I have two questions regarding

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Control pre-twist stacking order and direction of twist?

Dear Twister team, thank you for the great and helpful software. I have two questions regarding

8/6/23

Deep Jyoti Sapkota (M20PH206), Indrajit Maity2

6/28/23

Modified LAMMPS installation errors

Dear Deep, As the error says: USER-MISC does not exist! Depending on the LAMMPS version you have

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Modified LAMMPS installation errors

Dear Deep, As the error says: USER-MISC does not exist! Depending on the LAMMPS version you have

6/28/23

Deep Jyoti Sapkota (M20PH206), Indrajit Maity4

6/25/23

Problem in generating WS2/WS2 twisted bilayer

Dear Deep, I am glad that you were able to solve the problem. Indeed, you can fix the basis_pos_*

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Problem in generating WS2/WS2 twisted bilayer

Dear Deep, I am glad that you were able to solve the problem. Indeed, you can fix the basis_pos_*

6/25/23

Gayani Pallewela2

6/16/23

Relaxing twisted bilayer graphene using GAP20

I fixed one of the error. pair_coeff * * quip Carbon_GAP_20.xml "Potential xml_label=

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Relaxing twisted bilayer graphene using GAP20

I fixed one of the error. pair_coeff * * quip Carbon_GAP_20.xml "Potential xml_label=

6/16/23

Anikeya Aditya, … Indrajit Maity5

4/8/23

Help with heating simulation of moire mos2 structure

Hi Anikeya, "I had compiled lammps with user misc and interlayer, but I had not done the pair_sw

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Help with heating simulation of moire mos2 structure

Hi Anikeya, "I had compiled lammps with user misc and interlayer, but I had not done the pair_sw

4/8/23

Gayani Pallewela

4/3/23

Continuum model band structure from the relax atomic data

Dear All, This might not be directly related to twister group. Once we get input LAMMPS coordinates

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Continuum model band structure from the relax atomic data

Dear All, This might not be directly related to twister group. Once we get input LAMMPS coordinates

4/3/23

Abid Rehman, Saismit HNaik2

12/19/22

Need your kind help and guideline: How to install Twister

Hello Abid, i) You can download the Twister package from this GitHub repository: https://github.com/

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Need your kind help and guideline: How to install Twister

Hello Abid, i) You can download the Twister package from this GitHub repository: https://github.com/

12/19/22

李嘉恒, … Indrajit Maity7

9/3/22

Questions regarding order parameters in the twisted MoS2 bilayer

Hello Indrajit! Your advice seems useful for such systems. And I will try to figure out the

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Questions regarding order parameters in the twisted MoS2 bilayer

Hello Indrajit! Your advice seems useful for such systems. And I will try to figure out the

9/3/22

Ashita Jose, Mit Naik2

8/13/22

Computational demand

Hi Ashita, You could use Siesta for a quicker computation of the electronic properties than other

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Computational demand

Hi Ashita, You could use Siesta for a quicker computation of the electronic properties than other

8/13/22

yiwei zhao, … Indrajit Maity4

8/11/22

Hi Yiwei, Typically we use the basis_pos* files obtained from first principles calculations and I

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Hi Yiwei, Typically we use the basis_pos* files obtained from first principles calculations and I

8/11/22

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