t; on behalf of
Peter Blaha <pbl...@theochem.tuwien.ac.at>
*Sent:* Monday, July 3, 2017 4:07:47 PM
*To:* A Mailing list for WIEN2k users
*Subject:* Re: [Wien] Fw: The dielectric constant from spin polarirzed
calculations has doubled values than that of the non-sp
Sorry, I mistyped it. Of cours
list for WIEN2k users
*Subject:* Re: [Wien] Fw: The dielectric constant from spin polarirzed
calculations has doubled values than that of the non-sp
Thanks for your report. Your findings are absolutely correct.
I only fixed the normalization for non-spinpolarized SO calculations,
but not the spin-pol
wien-boun...@zeus.theochem.tuwien.ac.at> on behalf of Peter Blaha
<pbl...@theochem.tuwien.ac.at>
Sent: Monday, July 3, 2017 1:44:06 PM
To: A Mailing list for WIEN2k users
Subject: Re: [Wien] Fw: The dielectric constant from spin polarirzed
calculations has doubled values than that of the non-sp
The users
e: [Wien] Fw: The dielectric constant from spin polarirzed
calculations has doubled values than that of the non-sp
Thanks for your report. Your findings are absolutely correct.
I only fixed the normalization for non-spinpolarized SO calculations,
but not the spin-polarized ones.
The new opmain.f (SRC_o
Dear Prof Blaha
Two months ago, you have fixed problems with OPTIC and JOINT files.
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15724.html
To calculate the optical properties of Au using DFT+U/EECE , we should do spin
polarized calculations as we know. However, I noted
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