[Wien] how to remedy "LAPW2: semicore band-ranges too large"?
Bing Zhou
luxunca at yahoo.ca
Mon Sep 1 04:14:06 CEST 2014
Dear all,
The mail-archive webpage "http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg10561.html" seems not to work, so I changed -6.0 with -4.0 for core window limit, now "run_lapw" is running now.
My question is if such a change is reasonable?
Thanks!
Bing
--------------------------------------------
On Sun, 8/31/14, Gavin Abo <gsabo at crimson.ua.edu> wrote:
Subject: Re: [Wien] how to remedy "LAPW2: semicore band-ranges too large"?
To: "A Mailing list for WIEN2k users" <wien at zeus.theochem.tuwien.ac.at>
Received: Sunday, August 31, 2014, 11:27 AM
See:
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg10561.html
On 8/30/2014 9:14 PM, Bing Zhou wrote:
> Dear all,
> The
"run_lapw" failed with the following error message
as:
>
> LAPW2:
semicore band-ranges too large
>
(standard_in) 1: syntax error
>
(standard_in) 1: syntax error
>
(standard_in) 1: syntax error
>
(standard_in) 1: syntax error
>
(standard_in) 1: syntax error
>
(standard_in) 1: syntax error
>
(standard_in) 1: syntax error
>
(standard_in) 1: syntax error
>
(standard_in) 1: syntax error
>
>> stop error
>
Could you please help with solving it? thank you in
advance!
>
>
Bing
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