dftfe

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Trying to build dft-fe with PetSC on CPU's (intel/2023.1 + gcc/9.2.0)

4

Attempting to build separate real and complex versions - and everything is working up to the final linking. Both the real and complex versions fail with similar linking errors. I...

johannjc

question about dealii::DoFTools::make_hanging_node_constraints_from_serial

3

HI All, I'm helping some users with getting going with DFT FE version 1.0.2. I'm noticing an issue with DEALII's DoFTtools, in particular DFT FE is using a ```make_hanging_node_constraints_from_serial``` method...

hppritcha

Hi, DFT-FE appears to use libxc exclusively to evaluate density functionals, but doesn't seem to be printing out any information about it. I would kindly ask to include the following...

susilehtola

I have recently installed DFT-FE and started running a few test calculations. I couldn't find a way to easily convert my existing input files or CIFs to the DFT-FE format....

manassharma07