Your structure looks rather funny when visualized with xcrysden.
Anyway: an estimate of memory usage is printed by the code after
initialization:
Largest allocated arrays est. size (Mb) dimensions
Kohn-Sham Wavefunctions 2910.00 Mb ( 275592, 692)
NL pseudopot
in transmission."
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= nsteps * dt
where, "dt" is given in units of 2.4189x10^-17 s, right?
Thanks,
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On Sun, Jun 22, 2014 at 3:12 AM, Reza Behjatmanesh-Ardakani
wrote:
> Dear Axel
> Thank you. It was very helpful for me.
> As you said some new GTX cards have good DP floating point performance such
> as GTX Ti Black or GTX Ti Z that for both DP is 1/3 of SP.
> They are much cheaper than Tesla car
Dear Sir,
?I need your help on how to calculate celldom(1) and celldom(3) for ZnB2 and
Mg(1-x)Zn(x)B2
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Mu and Md are
no. of electrons in up and down spin states.
Thanks for you attention
Manoj N
Allahabad Uty.
India
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Dear Axel
Thank you. It was very helpful for me.
As you said some new GTX cards have good DP floating point performance such as
GTX Ti Black or GTX Ti Z that for both DP is 1/3 of SP.
They are much cheaper than Tesla cards.
I am not sure that Ti Black or Ti Z has ECC. Quadro K6000 has it.
Thank
