Respected Sushil Auluck,
Thanks for your kind reply. As you said that the term means of order delta cube.
But I just want to know the equation of that term. Means how that order delta
cube, mathematically looks like. I asked this because, using that equation, I
have to find the elastic
In mathematical notation, this implies that Terms O(d^3) will always be small
compared to terms O(d^2) and O(d) for sufficiently small d. What's
sufficiently small has to be determined on a case to case basis, but once you
have checked that, it means we know that there are more terms, but we
I did not read the paper, but O(delta^3) term should be the omitted term
in series expansion, and it looks like Const delta^3. To recover the value
of the constant, one should repeat the derivation of equation and keep the
next order term.
Valentin.
bipul rakshit wrote:
Respected Sushil
Has anyone had experience using SIESTA to calculate degenerate frequencies?
Even if I force exact symmetry in the unit cell, I get very non-degenerate
frequencies when they should be identical. Could I be doing something wrong
or is this a numerical limitation with SIESTA?
Thanks,
Ben
Dear all,
when i compiling the rho2xsf.f , there are somr error notes:
rho2xsf.f(160): (col. 15) remark: LOOP WAS VECTORIZED.
/tmp/ifortiXeCLr.o: In function `MAIN__':
rho2xsf.f:(.text+0x753): undefined reference to `test_xv_'
rho2xsf.f:(.text+0xb53): undefined reference to `read_xv_'
Dear all,
when i compiling the rho2xsf.f , there are somr error notes:
rho2xsf.f(160): (col. 15) remark: LOOP WAS VECTORIZED.
/tmp/ifortiXeCLr.o: In function `MAIN__':
rho2xsf.f:(.text+0x753): undefined reference to `test_xv_'
rho2xsf.f:(.text+0xb53): undefined reference to `read_xv_'
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