[Wannier] A question regarding to restart mode....

Han Hsu hsuhan at cems.umn.edu
Wed Jun 18 21:16:07 CEST 2008


Dear Arash,

Thank you very much for the response. I'll try setting restart=wannierise. 

I would like to point out that the manual might be a little bit misleading
about this for a non-native English speaker like me. It says (on page 17)
setting restart=wannierise would "Restart from the beginning of wannierise
routine". For me, "the beginning of wannierise routine" sounds like starting
the wannierization from scratch again..... This is why I chose
restart=default over restart=wannierise.

Again, thank you for the clarification.

Han

-----Original Message-----
From: wannier-bounces at quantum-espresso.org
[mailto:wannier-bounces at quantum-espresso.org] On Behalf Of Arash Mostofi
Sent: Wednesday, June 18, 2008 2:57 AM
To: 'Wannier Mailinglist'
Subject: Re: [Wannier] A question regarding to restart mode....

Dear Han

If you want the calculation to continue doing more wannier localisation 
steps you should set restart=wannierise rather than default.

The fact that you get an unhelpful error message (or nothing at all) is 
not ideal and we'll look into it.

Arash







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