SIGSEGV errors can be not easy to solve, because they can have many
possible causes:
http://www.democritos.it/pipermail/pw_forum/2005-March/002272.html
http://software.intel.com/en-us/articles/determining-root-cause-of-sigsegv-or-sigbus-errors/
However, maybe the cause is the same as a similar
Hello Prof. Blaha ,
Could you please suggest me that in Wien2k, how can I get Fermi
surface plot in Xcrysden by taking spin-orbit (SO) and ORB into
consideration?
As read from the previous archives, I had done Fermi surface plot for
GGA+U+SO by first doing cp case.outputso case.output1 .
But, i
Dear Blaha sir,
Thank you very much for your replay.
Here the problem comes in the calculation of , square of the
electron-phonon matrix averaged over the Fermi surface. Here my questions
are:
1. To get alone value do we need to use the rigid muffin-tin
approximation(RMTA)?
2. Is there any pack
No, it is not "printed".
But all the required quantities can be derived from a band structure
calculation and the rigid-muffin-tin approx.
On 06/22/2016 05:53 AM, Peram sreenivasa reddy wrote:
Dear WIEN2k,
Is it possible to calculate McMillan-Hopfield parameter directly with
WIEN2k, which is
It will not matter too much, but in principle for metals and half-metals
101 is more "save", because with the Blöchl-correction "negative
occupation numbers" could occur, leading to a "negative eps-2".
On 06/22/2016 12:34 PM, emami seyyed amir abbas wrote:
Dear users.
I am trying to obtain op
Dear users.
I am trying to obtain optical properties of a half-metal compound. As i know
for metallic systems we should put tetra/with value=101. But in half-metal
systems one spin channel has metallic behavior and other has insulator or
semiconductor behavior. Accordingly, which value wil
Hi,
The intralayer lattice constant was kept fixed at about
a=2.503 Angstrom (it would not really make sense to fix the volume
for such a plot). The interlayer distance corresponds to half of the
lattice constant c. I attached the struct file of hBN that I used.
F. Tran
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