the equilibrium energy lattice parameters.
Thank you in advance
Suddhasattwa
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My question is regarding the spin structure for a SDW calculation. As
far my knowledge, the unit cell need to be extended in a particular
direction, equivalent or greater than the wave vector, i.e. in case
of Cr, the unit cell length has to be 50 A, which is the magnitude of
the wave vector.
Hi,
I think there is a problem in the automatic setting of R0 in the last
version of structgen.
If I create the case.struct file from case.cif, I get R0=0.05 for
Re and lstart runs without any warning.
If I enter manually the positions in structgen I get R0=0.0001 for Re
and lstart
I cannot verify such a problem.
In my w2web/structgen it sets R0 correctly.
Sylvain Cristol schrieb:
Hi,
I think there is a problem in the automatic setting of R0 in the last
version of structgen.
If I create the case.struct file from case.cif, I get R0=0.05 for
Re and lstart runs
Susanta Mohanta wrote
My question is regarding the spin structure for a SDW calculation.
The WIENNCM package that is developed by R Laskowski gives a possibility
to make an SDW using small unit cell with the help of generalised Bloch
theorem. Though, it would be interesting to compare the
Dear prof. Blaha
I do NOT believe that k-point parallel with an older WIEN2k was possible
(unless you set it up with rsh instead of ssh and defined a
.rhosts file).
But it is really possible. I checked again. I even reinstall the
WIEN2K_08.1 aiming to verify that the options are the same
No, there was no change!
Did you set shared memory ?? This would also explain why everything runs on
one machine ??
Kakhaber Jandieri schrieb:
Dear prof. Blaha
I do NOT believe that k-point parallel with an older WIEN2k was possible
(unless you set it up with rsh instead of ssh and
Hi Sir
please submet me in wien mailing list
thanks
ibrahim
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to me that graphite is conductor. Any
hint appreciated.
Sincerely
Mohammad
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