[CP2K-user] [CP2K:11222] About the Projection-operator adiabatization (POD)method in cp2k-6.1

Wei Hao whao... at gmail.com
Wed Jan 30 08:24:13 CET 2019


That’s very helpful, I will look through these examples. Thanks very much.

Best wishes,
Hao Wei

Sent from Mail for Windows 10

From: Michael Banck
Sent: Wednesday, January 30, 2019 15:47
To: cp... at googlegroups.com
Subject: Re: [CP2K:11222] About the Projection-operator adiabatization (POD)method in cp2k-6.1

Hi,

On Tue, Jan 29, 2019 at 11:37:49PM -0800, Wei Hao wrote:
> Has anyone tried the Projection-operator adiabatization (POD) method in 
> cp2k-6.1? How to do employ this method in my calculations? I can not find 
> any instruction  or parameters in the manual to use this method.

There are at least a few examples in tests/QS/regtest-pod, though I
don't know how production-ready they are.


Michael

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