[Pw_forum] Crash with Environ-0.2

[Oliviero Andreussi]

Dear Dr. Huu Chuong Nguyën (Bob),

Thank you very much for investigating the problem further and reporting the bug. I will look at the problem and if the incompatibility is easy to fix, I will let you know and will forward the patches as soon as possible. Thank you again.

Best,

Oliviero Andreussi
--
Department of Physics
University of North Texas
Email: oliviero.andreussi at unt.edu<mailto:oliviero.andreussi at unt.edu>
Skype: olivieroandreussi
Web: https://sites.google.com/site/olivieroandreussi
________________________________
From: pw_forum-bounces at pwscf.org <pw_forum-bounces at pwscf.org> on behalf of Huu Chuong Nguyën <hnguyen at ICIQ.ES>
Sent: Thursday, February 8, 2018 2:19:00 PM
To: pw_forum at pwscf.org
Subject: Re: [Pw_forum] Crash with Environ-0.2

Hi,


I found that if I comment the line

!                    vdw_corr = Grimme-D2, ! DFT-D2 dispersion correction
it works!

There may be some issues between  DFT-D2 and environ-0.2

Best regards,



Dr. Huu Chuong Nguyën (Bob)

Postdoc Researcher - Group of Prof. Núria López

Institute of Chemical Research of Catalonia (ICIQ)
The Barcelona Institute of Science and Technology

Av. Països Catalans 16 - 43007 Tarragona (Spain)

PB-12 Huu Chuong Nguyën - PERSONAL

hnguyen at iciq.es<mailto:user at iciq.es> - www.iciq.es<http://www.iciq.es/>


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