Dear Dr. Gerhard H. Fecher
Thank you for your details.
I checked my home DIR for .w2web. It has only my old sessions. Somehow my
recently created session information are lost.
I was doing some optical property calculations in my new sessions and SCF with
hub-U and SO were done without errors. Now I started the post processing with
new session name (this time I gave the folder name as the session name). Hope I
can continue this without any error.?
One thing I need to clarify. the information shows when I check session
management in w2web, are of the old session or of the newly created session?If
I have lost session info file in home/user/host/.w2web, is there any other
place where I can get those details?
Thank you in advance
Prasad
On Thursday, August 24, 2017 11:37 PM, "Fecher, Gerhard"
<fec...@uni-mainz.de> wrote:
You may continue your work in an existing directory if there were no troubles
before
If you create a session for an existing case (in an old folder), then you need
to check that the session info is ok (see session mangement in w2web)
in particular complex or not, spin polarized or not, etc.
There is a hidden folder ".w2web" in your home directoty that contains all the
information
The path to the stored sessions may look like
/home/user/.w2web/host/sessions
(user is your name, host is the name your computer used by w2web were the
sessins are stored)
The folder "sessions" contains all stored sessions, unfortunately by their ID
numbers,
however, the files are simple text files you can read with every editor
they contain the informations on the NAME (case), DIR (directory), etc.
needed by w2web.
You can use old session files in a new environment (if you still have them and
the path (DIR) to your cases are still the same).
Ciao
Gerhard
DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
"I think the problem, to be quite honest with you,
is that you have never actually known what the question is."
====================================
Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz
and
Max Planck Institute for Chemical Physics of Solids
01187 Dresden
________________________________________
Von: Wien [wien-boun...@zeus.theochem.tuwien.ac.at] im Auftrag von prasad
jayasena [prasad....@yahoo.com]
Gesendet: Freitag, 25. August 2017 00:42
An: A. Mailing List for WIEN2k Users
Betreff: [Wien] How to replace the availiable session list
Dear Developers
Due to a network problem I lost connection with our computer system and after
it got fixed I had a problem of connecting with WIEN2k interface. Somehow they
fixed that problem too.
But now, when I try to load my sessions from w2web,I do not see any of my
recent sessions in the "stored session" list. Unfortunately I didnot keep any
record on the session names given.
My question is;
If I create a new session and use the previous folders to continue the case,
would it give me errors? I mean, for example, If I do DOS calculation on a old
folder with new session name, does it matter?
I know we can properly change session name or the directory through w2web. But
since this is different, I am doubtful.
Is there a file/ place where I can see the session names?
Thank you in advance.
Prasad
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