Dear all,
Now I am trying to calculate the electron-phonon
coupling constant. According to the 7-th example the
code is able to calculate the EPC constant for an
arbitrary k-point in the BZ (\lambda_{nk}). I
followed this example and now I am calculating
\lambda_{nk} for a number of k-points in
Dear Mahmoud,
The "-w" flag should be added to compiler options
(FFLAGS) in order to avoid warning messages. What
concerns underscores, you can try add the
-DADD_BLAS_ONE_UNDERSCORE
flag to CPPFLAGS. Besides, your FFTW library should be
linked before the MKL-one.
Hope it works.
Regards,
Eyvaz
Dear Gosia
Sorry for replying you so late. I'd already calculated the E_P coupling for
most of possible q vectors to try to analyze the results. So It takes time.
I use Norm-Conserving PPs. As what you said, for some q vectors with small
phonon frequencies, the calculated E_P coupling is extrem
Dear Gosia
Sorry for replying you so late. I'd already calculated the E_P coupling for
most of possible q vectors to try to analyze the results. So It takes time.
I use Norm-Conserving PPs. As what you said, for some q vectors with small
phonon frequencies, the calculated E_P coupling is extrem
Dear Paolo and Hosik,
Thank you very much for your helps. I have downloaded the fftw3
and installed. The location of the "libfftw3.a" file is "/usr/local/lib"
In "make.sys", I have changed the "-lfftw" to "/usr/local/lib/libfftw3.a".
(Some other "fft" also exists at "/opt/intel/mkl/tests/fftf/sourc
