EPW Forum

Hi,

It looks like you are restarting your job with "wannierize = .true.". You need to set it ".false." and use your "prefix.ukk" file.

Best,
Hari Paudyal

Hi shashali,

Are you using the same version of qe that was used during the school? I think in the school qe-v6.2.2 was used.

Best,
Hari Paudyal

Hi,

It looks like the problem occurred before reading 'ephmat' files. Is this the restart job? or continue after writing the 'ephmat' files? If you provide other information with inputes, I can say more about this.

Best,
Hari Paudyal

Hi,

How many q-points do you have? The problem is from 'si.dyn_q10' file. I guess, either it may be missing, or you are specifying more q-points than is should be. Could you provide your input and output files to make sure what is going on?

Best,
Hari Paudyal

Hi Your "ifc.q2r" file is missing. Please read the input file description with 'lifc' variable below; Variable: lifc Type: LOGICAL Default: .false. Description: If .true. uses the real-space inter-atomic force constant generated by q2r.x. The resulting file must be named "ifc.q2r"...

Hi Gautam,

1. It depends on a)the window which includes frozen states (dis_froz_min, dis_froz_max) b) initial projections used in the Wannier90 calculation. Working with this parameters might help you.
2. We can not restart without "prefix.epbXX" files.

Best,
Hari Paudyal
SUNY Binghamton

Hi ilias-serifi,

It looks like your "Al.freq" file is missing or not written correctly.

Best,
Hari

Hi ilias-serifi,

1. For your fine k/q meshes it is normal to have ~300 Gb files.
2. The flag to change the step in "Progression iq (fine) = " is "restart_freq" which is default 100.

Best,
Hari Paudyal

Hi ilias-serifi,

The file size depends on your fine k/q meshes. I am not sure how dense meshes are you using. For example, for my 12 atoms system with k=56*32*16 and q=28*16*8 meshes I got ~250 Gb files.

Best,
Hari Paudyal

Hi Mohammad,

It looks like your phonon calculation has not been done properly. Please check your ph.out file and make sure all the q-points (your error is for the 1st and 2nd q-points) are done properly.

Best,
Hari Paudyal