@lists.quantum-espresso.org
Cc: Hsin-Yu Ko
Subject: Re: [QE-users] PWSCF v.7.0 unknown vdw correction (vdw_corr): mbd_vdw.
On 09/05/2022 14:15, Hsin-Yu Ko wrote:
> Please try vdw_corr = 'mbd' instead, and I will check if the
> documentation in the development version has been
On 09/05/2022 14:15, Hsin-Yu Ko wrote:
Please try vdw_corr = 'mbd' instead, and I will check if the
documentation in the development version has been fixed.
the documentation is still incomplete and lists 'mbd_vdw' and 'many-body
dispersion' as only possibilities, but the code had been
Hello,
Yes, that seems to be the fix. Thank you for the help!
From,
John Stoppelman
From: users On Behalf Of Hsin-Yu Ko
Sent: Monday, May 9, 2022 8:16 AM
To: users@lists.quantum-espresso.org
Subject: Re: [QE-users] PWSCF v.7.0 unknown vdw correction (vdw_corr): mbd_vdw.
Hi John,
Somehow
Hi John,
Somehow the documentation is inconsistent with the source code. I did a quick
search in `Modules/set_vdw_corr.f90` and found the following:
```
$ grep -n -C 3 MBD Modules/set_vdw_corr.f90
30- CASE( 'TS', 'ts', 'ts-vdw', 'ts-vdW', 'tkatchenko-scheffler' )
31- ts_vdw = .TRUE.
32-
33:
