How to resolve this type of Error running VASP parallel with MPI set I_MPI_COMPATIBILITY=4?

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How to slove this error in VASP calculation??

ERROR!!! VASP failed. Please check VASP.out and OUTCAR.out for the reason. while executing "error "VASP failed. Please check $vaspoutname and $filename for the reason."" (object...

09 October 2018 5,417 0 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

How to convert a privately loaded document into a public document?

I attempted to make a privately uploaded text public but a window appeared that said an error occurred. There was no explanation provided as to why there was an error or what might be done to...

05 August 2024 8,025 7 View

Hi there, someone has the SeinFit software for windows because I cannot download it?

DOS version.

29 July 2024 6,064 1 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

I need a reliable source or an example supported by excel sheet to understand Fuzzy Vikor?

27 July 2024 5,916 1 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

Flow through curved domains?

Hi everyone, I am working on a curved domain in which a ship is situated in the middle (geometry is given below). In my understanding the general fluid flow is parallel to the x axis from inlet to...

25 July 2024 9,058 4 View

How to do calculation of Louvain methods calculation for excel sheet and and is there any software available?

The Louvain method – named after the University of Louvain where Blondel et al. developed the algorithm – finds communities by optimizing modularity locally for every node’s neighborhood, then...

23 July 2024 6,659 0 View

Abaqus cylinder buckling riks analysis?

hi, I am doing a risk analysis of a cylindrical fuselage with windows. I have applied contact interactions between the different parts, and I have applied a unit value load to a reference point,...

20 July 2024 647 2 View

Is it possible to run the AIMD within a system using virtual crystal approximation (VCA)?

I want to study the thermal properties of a mixed system which is constructed by virtual crystal approximation in VASP. When I try to run the ab initio Molecular Dynamics of this system in VASP, I...

19 July 2024 6,569 3 View