Now I see, thank you.
I usually run from the terminal
nohup runsp -so -orb -p &
so I had not seen this possibility.
De: wien-boun...@zeus.theochem.tuwien.ac.at
en nombre de Gavin Abo
Enviado: lunes, 5 de octubre de 2015 01:18 p. m.
Para:
If you click on "run SCF" in the left menu of w2web, are the "parallel",
"spinorbit", "spin polarized", and "orbital pot (DFT+U)" boxes checked
on the SCF Cycle page? If not, you can check the boxes next to them
(except "parallel" might have to be changed using "change session" in
the left men
Hi,
I have done Unsubscribe many times what I got is this "By clicking on the
*Unsubscribe* button, a confirmation message will be emailed to you. This
message will have a link that you should click on to complete the removal
process (you can also confirm by email; see the instructions in the
confi
Yes, you are right, but the problem is that I used the navigator and the lapwso
step is not there.
You probably missed the lapwso step:
x lapw1 -band -p -up
x lapw1 -band -p -dn
x lapwso -up -orb -p
x spaghetti -up -p -so
On 10/03/2015 08:48 PM, delamora
You probably missed the lapwso step:
x lapw1 -band -p -up
x lapw1 -band -p -dn
x lapwso -up -orb -p
x spaghetti -up -p -so
On 10/03/2015 08:48 PM, delamora wrote:
Dear Dr. Blaha,
I found what I think is a problem in bandstructure plots:
I calculated BaRuO3 with "-so -orb" which is a cubic perov
Dear User
I am confused, that in the LAPW method the potential is spherically
symmetric potential in the Muffin-tin region while in the FPLAPW method the
potential is not spherically symmetric?
please explain it.
Regards
Sikander
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