General Questions and Answers

How to calculate the current after introducing spin-orbit coupling?

Started by guojunnan

Add dielectric to the electrode region

Started by dmicje12

Bandstructure of B-P nanosheet not calculated correctly

Started by sguha

LDA+U in noncollinear spin

Started by Dongzhe

How is Defect Diffusivity Calculated with calculateDiffusivity method?

Started by pshinyeong

Constraints_data parameter in function "writePOSCAR"

Started by sukhito teh

how to generate a file *.nc from hdf5 or py

Started by gloria.cardenas

Local energy in MTP calculation

Started by nils.holle

how to use COSMO solvent in 1D systems?

Started by karolina

Half integer transmission in hdf5 file

Started by kaihuang

M3GNet error

Started by AsifShah

X-Ray scattering of MD trajectory

Started by tafa11

Phonon dispersion is senstitive to "processes_per_displacement" paramter of DM?

Started by krabidix « 1 2 »

Regarding one existed .py file from software tutorial itself. Opening at builder

Started by techenthusiast

Implementing a new Reactive Forcefield

Started by AsifShah

Unit trouble dipole moments

Started by MariaWJ

Building type 1, 2, 3 quaternary heusler alloy

Started by physics

Can't find builder(bulk, selection, device etc.) tools on the right

Started by pshinyeong

Random Swap of Elements

Started by physics

Loss function of the training/testing set

Started by aknair