The ABINIT Users Mailing List ( CLOSED )

[mjv500@york.ac.uk]

Hello Zhigang,

Great! It seems you are much further than I feared. The output is in the 
file called _A2F. The merged GKK and DDB files are enough to do the anaddb 
run (i.e. you can delete the _1WF). And normally in the latest release 
there is a flag for abinit called prtgkk, which allows you to print out the 
GKK files directly without having to keep the _1WF at all. Please test this 
with caution, as I haven't used it much yet (for a test run keep both the 
prtgkk output and the _1WF files and check that the results from anaddb are 
the same for both).

have fun

Matthieu


---------- Forwarded message ----------
Date: Thu, 5 Jan 2006 11:27:21 -0500 (EST)
Subject: el-phon
From: "Zhigang (Michael) Wu" <z.wu@gl.ciw.edu>
To: mjv500@york.ac.uk

Dear Matthieu,

Thanks for your reply. Actually I didn't make my question clear to you, I
just want to know where I can find alpha^2F(w) from output and log files.
Another question, after doing a mrggkk, does the resulting gkk file have
all the data needed for further electron-phonon calculations, i.e., can I
delete those 1WF files? They are huge in size and eat up too much disk
space, I don't want to keep them.

Thanks,

Zhigang

--------------------
Zhigang (Michael) Wu  (ÎâÖ¾¸Õ)
Postdoc research associate in Geophysical Lab
Carnegie Institution of Washington
(202)478-8943 (Office)
z.wu@gl.ciw.edu
http://www.gl.ciw.edu/~zhigang