Re: [QE-users] xml data file not found in Car-Parrinello molecular dynamics

2020-12-17 Thread Paolo Giannozzi
To read data from the previous step you need to set ndr = ndw of the previous step Paolo On Thu, Dec 17, 2020 at 8:24 AM Wei Chen wrote: > Hello Everyone, > > > > Greetings! > > > > I am trying to do the Car-Parrinello molecular dynamics of SiC which consist > of 64 atoms. I have successfully p

Re: [QE-users] Error in VCA with QE v6.6 (virtual_v2.x)

2020-12-17 Thread Pietro Delugas
ops sorry Sent from Mail for Windows 10 From: Paolo Giannozzi Sent: Thursday, December 17, 2020 8:45 AM To: Quantum ESPRESSO users Forum Subject: Re: [QE-users] Error in VCA with QE v6.6 (virtual_v2.x) It should have been fixed in 6.7, but it wasn't :-( https://gitlab.com/QEF/q-e/-/merge_reques