satish

I meant 0.36 eV lower for the ground state doublet spin of NO compared to unrestricted...

I wanted to clarify if you meant "forces are too high" or "forces are wrong"? Also...

Hello I was having trouble trying to converge some calculations related to molecular/atomic...

Hello I followed the instructions to compile JDFTx on TACC Stampede and SDSC Gordon,...

Hi I know that JDFTx for example implements PCM for solvation but was curious to...

It matches now :) Thanks a lot :)

I am trying to reproduce the adsorption energies of molecular adsorption of O2 on...

Following was the error for default symmetry: "Species Pt atoms 0 and 12 are related...