Dear Prof. Blaha,
I figured out where I made a mistake to run x kram.
In the file of case.inkram, I need to put in the corresponding number
of Gammas for Drude terms (when I want to add intraband
contributions), which was
instructed clearly in UG. So for two columns, after I fed in 0.1 0.1
Dear Jailton, Prof. Blaha and other wien2k users,
I saw Jailton's answer to the question raised by Amy Lazicki about how
to run x kram.
I encountered the similar difficulty even if I put in two plasma
frequencies in the case.inkram.
As follows are my input files. I am using wien2k.08.3.
There
Per my previous message
Why is case.intra always empty after I run x joint with SWITCH=6?
Thanks,
Jianxin
Dear Jailton, Prof. Blaha and other wien2k users,
I saw Jailton's answer to the question raised by Amy Lazicki about how
to run x kram.
I encountered the similar difficulty even if
properties.
best,
Jailton
Date: Fri, 12 Sep 2008 15:34:50 -0400
From: alazicki at ciw.edu
To: wien at zeus.theochem.tuwien.ac.at
Subject: Re: [Wien] How to specify intraband contributions in
case.injoint, case.inkram
Thanks very much for your help!
I have tried changing the number
Dear Wien users
I am attempting to calculate intraband contributions to optical
properties of bcc sodium metal (using the OPTIC/JOINT/KRAM programs for
the first time - under WIEN2k_08.2 (Release 21/4/2008)) and ran into a
problem. Everything runs fine when I calculate the interband
.
Best regards,
Jailton
Date: Fri, 12 Sep 2008 15:03:54 -0400 From: alazicki at ciw.edu To: wien at
zeus.theochem.tuwien.ac.at Subject: [Wien] How to specify intraband
contributions in case.injoint, case.inkram Dear Wien users I am
attempting to calculate intraband contributions to optical
at zeus.theochem.tuwien.ac.at
Subject: [Wien] How to specify intraband contributions in
case.injoint, case.inkram
Dear Wien users
I am attempting to calculate intraband contributions to optical
properties of bcc sodium metal (using the OPTIC/JOINT/KRAM programs for
the first time - under WIEN2k_08.2
at ciw.edu To: wien at
zeus.theochem.tuwien.ac.at Subject: Re: [Wien] How to specify intraband
contributions in case.injoint, case.inkram Thanks very much for your
help! I have tried changing the number of columns in case.inop and
case.injoint to 1: ___case.inop___ 20 1 number of k-points
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