Error reading item 'MAGMOM' from file INCAR.?

More Avanish Mishra's questions See All

How to change atom colors in p4vasp?

p4vasp provides better bond cut structure than any other software I know. Is there any possible way that I can change atom colors as well. Specific color would be great to make better structures.

01 February 2017 4,803 0 View

Can anyone suggest software to Non Adiabatic Quantum Molecular Dynamics (NA-QMD)?

Can anybody suggest some good simulation package to do Non Adiabatic Quantum Molecular Dynamics (NA-QMD). These packages are very much helpful to understand photo voltaic properties of materials .

07 August 2016 5,276 4 View

Which software would be good fro making 3D schematics?

Which Software would e good fro making 3D schematic . I tried many like illustator or

31 December 2014 6,844 3 View

Can anyone suggest how to generate and input a file for Phonon Dispersion of Graphene in laamps?

Can anyone tell me how to generate an Input File and Potential? I am not able to generate a 2d data file and I and also not sure how to use it and the Potential file .

11 December 2014 515 5 View

Why does strain and spin orbital coupling change band structure?

Why strain change band structure? When we apply any strain on any unit cell of any material which is not centrosymmetric why band structure get change . And in case of SOC also

09 October 2014 1,655 5 View

Lammps Tutorial?

Does any body can teach me through skype or any way lammps coz that lammps manual on the website is not helping me very much so i need some help.. Any one have their personal manual can provide me?

08 September 2014 4,128 0 View

What Is Gaussian smearing and Fermi smearing.?

08 September 2014 9,905 3 View

Why is XRD used when neutron and electron diffraction can be also used for lattice structure?

Why XRD is used when Neutron and Electron Diffraction can be also used for Lattice Structure? Neutron particle also has a small wavelenght compare to 1 A0 . Or Electron diifraction?

07 August 2014 10,057 16 View

In step potential what will happen if E= V . means R = 1and T =0, but what about second region wave function..it will be what??

07 August 2014 8,931 0 View

Why NaCl has 2 FCC structure dragged by the edges and the CsCl has 2 SC structure dragged along the body diagonal?

Where both of the same group element and as well KCl also has structure as NaCl?

07 August 2014 2,118 2 View

How to define an anisotropic material with asymmetric elastic compliance/stiffness matrix in ANSYS APDL?

I need to model an anisotropic material in which the Poisson's ratio ν_12 ≠ ν_21 and so on. Therefore, the elastic compliance matrix wouldn't be a symmetric one. In ANSYS APDL, for TB,ANEL...

09 August 2024 5,048 2 View

Request Python code?

Request Python code from this article : Gender equity of authorship in pulmonary medicine over the past decade. THANKS!

08 August 2024 6,242 2 View

VASP recognize my insulating alloy structure as not insulating?

Hi, Recently I was running VASP to calculate the spontaneous polarization of my alloy structure. I followed the instructions in this PDF wrote by Dr. Nabin (Nabaraj) Pokhrel, below is my INCAR...

07 August 2024 486 5 View

Why does everyone use vs code?

Visual Studio Code (VS Code) has become a popular choice among developers for several reasons: 1. **Free and Open Source**: VS Code is free to use and open source, making it accessible to...

07 August 2024 7,013 4 View

How can i do multivariate Time Series forecast using MLP, ANFIS and LSTM?

I need the python code to forecast what crop production will be in the next decade considering climate and crop production variables as seen in the attached.csv file.

05 August 2024 2,977 3 View

How to build a heterostructure of two materials having different space group?

How to build a heterostructure in VESTA/VASP of two pristine materials having different space group and structure?

27 July 2024 739 2 View

All math can be explained by iterator of code?

all math can be traversed by code? all math can be translate to code?

26 July 2024 9,530 0 View

Reason for discontinuities in my Band structure?

Hey All! I am wondering what might be wrong with my band structure. I did the calculations using VASP and plotted the results using Origin. Although I have tried changing various input...

25 July 2024 2,920 11 View

How can i solve the code problem in Sentaurus TCAD?

Currently, I have created a gate-all-around process using sentaurus tcad and I am trying to measure the noise using the cmos noise code. However, an error occurred during the simulation. The error...

24 July 2024 6,352 0 View

Getting standard errors and T-statistics for Dynamic panel data with instrumental variable method?

Dear all, I have a user written estimation code based on the paper dynamic panel data estimations with fixed effect by Galvao(2009). I have seen many papers using this method and pvalue, standard...

22 July 2024 4,588 1 View