DFT book setup doesnt work

#4 · open · 1 comments

View on GitHub ↗

deep-explore

Hi, The given setup code works without error, but the later example files dosent run. changing the lines worked for me. !pip install --upgrade git+git://github.com/ulissigroup/ase-espresso_ to !pip install https://github.com/lmmentel/ase-espresso/archive/master.zip

Comments

santoshkhatiwada

I couldn't get the calculations going. RuntimeError: Espresso executable doesn't seem to have been started. this is what I see everytime I try to run the code. please help me. I have tried numerous times without any success.