Hi,
I continue the discussion about calculate effective carrier masses. During
my search on web, I found a script named 'pw_nscf_2_EIGENVAL' in this page
https://www.mail-archive.com/pw_forum@pwscf.org/msg27908.html. Has anyone
tried it?
regards
Al
2016-12-28 17:00 GMT+01:00 alberto
On 12/27/2016 08:46 PM, Mostafa Youssef wrote:
Dear Mohammadreza,
Have a look at this link:
http://materialscloud.org/sssp/
Also here:
http://qe-forge.org/gf/project/pslibrary/
Regards,
Mostafa
On 12/28/2016 11:49 PM, mohammadreza hosseini wrote:
Dear all I need PAW pseudo for Mn . I
Hi Konrad,
My experience with QE-GPU is that it works only with double precision
supported GPUs but not single precision.
I am using TitanZ and Intel compiler, it works fast. Here is my ./configure
./configure CC=icc F90=ifort F77=ifort MPIF90=mpiifort --enable-parallel
--disable-openmp
Hi
Can pwgui6.0 be used for general calculations. If yes then please guide.
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Dear Pablo
Final Coordinates and Job Done do not mean that relaxation reached
convergence you may have reached the max number of steps and relaxation
stopped.
Check few lines before "Begin Final coordinates" you should find
something like "bfgs converged in scf cycles"
Did you try to
Hi Konrad,
Nvidia GTX 1060 is sm_61 and per https://github.com/fspiga/QE-GPU, it
supports up to sm_60, based on my experience QE-GPU will compile with
sm_61 however when you run pw-gpu.x it will throw errors, hence there
should be a slight modification on the QE-GPU source code to include
sm_61,
