Thank you all for nice explanation. I got the point.
Sincerely
Bhamu
On Mon, Apr 25, 2016 at 12:20 PM, Xavier Rocquefelte <
xavier.rocquefe...@univ-rennes1.fr> wrote:
> Indeed I never use the scf file when I restart a calculation.
> Have a nice week
> Xavier
>
> Le 25/04/2016 08:38, Stefaan
You must use the command
restore_lapw -d directory
Apparently, your computer works better than ours. I also don't see the
case.scf restored unless the script is modified:
The philosophy of restore_lapw is to be able to start a new calculation
based on the starting point of a previously
You must use the command
restore_lapw -d directory
Apparently, your computer works better than ours. I also don't see the
case.scf restored unless the script is modified:
username@computername:~/wiendata/TiC$ cat $WIENROOT/VERSION
WIEN2k_14.2 (Release 15/10/2014)
hem.tuwien.ac.at
<mailto:wien@zeus.theochem.tuwien.ac.at>>
To: A Mailing list for WIEN2k users
<Wien@zeus.theochem.tuwien.ac.at
<mailto:Wien@zeus.theochem.tuwien.ac.at>>
Subject: [Wien] which file I can delete
Dear Wien2k users
I
.ac.at>]
Gesendet: Samstag, 23. April 2016 09:58
An: A Mailing list for WIEN2k users
Betreff: Re: [Wien] which file I can delete
Hi,
When a calculation is completed, it is recommended to use
save_lapw to save the important files (inputs, scf, clmsum)
under a new name. Since the vector file is no
87 Dresden
Von: wien-boun...@zeus.theochem.tuwien.ac.at
[wien-boun...@zeus.theochem.tuwien.ac.at] im Auftrag von Dr. K. C. Bhamu
[kcbham...@gmail.com]
Gesendet: Samstag, 23. April 2016 11:57
An: A Mailing list for WIEN2k users
Betreff: Re: [Wien] which file I can delete
: wien-boun...@zeus.theochem.tuwien.ac.at [
> wien-boun...@zeus.theochem.tuwien.ac.at] im Auftrag von
> t...@theochem.tuwien.ac.at [t...@theochem.tuwien.ac.at]
> Gesendet: Samstag, 23. April 2016 09:58
> An: A Mailing list for WIEN2k users
> Betreff: Re: [Wien] which file I can delete
>
[wien-boun...@zeus.theochem.tuwien.ac.at] im Auftrag von
t...@theochem.tuwien.ac.at [t...@theochem.tuwien.ac.at]
Gesendet: Samstag, 23. April 2016 09:58
An: A Mailing list for WIEN2k users
Betreff: Re: [Wien] which file I can delete
Hi,
When a calculation is completed, it is recommended to use
save_lapw to save the impor
. Bhamu wrote:
Date: Sat, 23 Apr 2016 09:10:46
From: Dr. K. C. Bhamu <kcbham...@gmail.com>
Reply-To: A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at>
To: A Mailing list for WIEN2k users <Wien@zeus.theochem.tuwien.ac.at>
Subject: [Wien] which file I can delete
De
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