Mart?nez
DEPARTAMENTO DE F?SICA
CINVESTAV - M?XICO D.F.
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Hello,
I encountered the follwoing errors when compiling in SRC_hf
with GNU Fortran (Ubuntu/Linaro 4.6.3-1ubuntu5) 4.6.3.
if there are any options of gfortran to avoid these errors, please advise.
//
gfortran -ffree-form -O2 -ffree-line-length-none -c calc_exhfvv_tmp_.F
Delta is a direction, not a point !
Ciao
Gerhard
DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
I think the problem, to be quite honest with you,
is that you have never actually known what the question is.
Dr. Gerhard H. Fecher
Institut of
You can for instance put the coordinates of the desired k-point put into
case.klist (ix,iy,iz,i-denominator), then
x lapw1
examine case.output1 and find the eigenvalue you want to plot:
x lapw2 -all emin emax (where emin/emax should bracket the desired
eigenvalue.
If the k-point is already
Dear users,
I am doing the super-cell calculation for the first time.
Is it possible to create the super-cell of having the same space group
as the parent structure.
Suppose, I have the crystal structure of tetragonal symmetry.
When I am creating the super-cell of 2*1*1 or 2*2*1, it is
The space group depends on the cell. If you change the cell, you will
change the space group (except if the symmetry is very low).
In your case, I imagine that you can keep the tetragonal symmetry if you
create an adequate supercell (keeping the 4-fold axis symmetry), but the
space group will
in advance, Waiting for your reply.
With Kind regards,
Prasenjit Roy
Radboud University
Nijmegen
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the file .ieds?
Can I simply comment out the line 154 --
cat .ieds $file.inso
?
Thanks,
Jianxin
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.
Regards,
Long Zhang
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