Best,
Oliviero
From: pw_forum-boun...@pwscf.org [pw_forum-boun...@pwscf.org] on behalf of
Huang, Xu [xu-hu...@uiowa.edu]
Sent: Wednesday, November 02, 2016 2:06 AM
To: huangxu1...@sina.com; PWSCF Forum
Subject: Re: [Pw_forum] Solvent model did not switch on
Thank y
mber 1, 2016 3:14:18 PM
To: huangxu1...@sina.com; PWSCF Forum
Subject: Re: [Pw_forum] Solvent model did not switch on
"pw.x --environ"?
On Tue, Nov 1, 2016 at 5:02 PM,
mailto:huangxu1...@sina.com>> wrote:
Dear all,
I'm using QE-5.4.0 solvent model for the LiCoO2 s
"pw.x --environ"?
On Tue, Nov 1, 2016 at 5:02 PM, wrote:
> Dear all,
>
> I'm using QE-5.4.0 solvent model for the LiCoO2 surface simulation under
> water background. The structural optimization and environ.in are both
> listed below. The surface slab is packed along z-direction, so I
> put assu
Dear all,
I'm using QE-5.4.0 solvent model for the LiCoO2 surface simulation under water
background. The structural optimization and environ.in are both listed below.
The surface slab is packed along z-direction, so I put assume_isolated =
'slabz'. However, I found that the output seemed didn't
