After you added and saved in .bashrc the line
export LC_NUMERIC=en_US
did you reload .bashrc in the bash terminal with
source ~/.bashrc
(or close and open a new bash terminal)
If you enter the terminal command: locale
Does it return in the output
LC_NUMERIC="en_US"
Instead of "export LC_NU
Yes Tran
Thank you for valuable suggestions .
On Thu, Jul 2, 2015 at 4:40 PM, wrote:
> The last value of :EFG001, :EFG002, etc. in case.scf is the one from the
> last iteration, thus this is this value that you have to consider.
> The EFG is a quantity assigned to a particular nucleus and there
The last value of :EFG001, :EFG002, etc. in case.scf is the one from the
last iteration, thus this is this value that you have to consider.
The EFG is a quantity assigned to a particular nucleus and there is
no total EFG defined for the unit cell. The EFG can be negative or
positive. Maybe you sho
Dear Tran
I guess the second value (like in :EFG001:Co1 EFG = 11.74814 *10**21 V /
m**2 :EFG001:Co1 EFG = 11.74810 *10**21 V / m**2) is the correct value of
EFG that is 11.74810 *10**21 V / m**2 in this case. Actually, SCF converged
after 25 cycles and for each atom 25 values of EFG printed. Am I r
Hi,
I am trying to install Wine2k on ubuntu 14.10 (AMD Optetron 64 bit). I
followed the installation commands as mentioned in the manual, which came up
with an error message while running the command: ./siteconfig_lapw
It came with this message:
You must change your LOCALE !
The comman
​dear users
I am working on Mn2NbAs compound. I set the starting spin configuration u-d-d
for Mn, Zr and As respectively. When i run the program the charge fluctuates
around 0.02 for more than 1000 iterations and finally do not converge (I stop
it). I change all of the initial parameters like
Dear Tran
Many thanks for your prompt reply. I have completely understood how to
compute MM.
About EFG:
I guess we can not write total EFG for the whole system, I mean only one
value of EFG ? Am I right, as it is a related to every nucleus behavior
against external EF?
I used the functional WCGGA.
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