Search found 5 matches
- Tue Dec 20, 2022 6:45 am
- Forum: Running the code
- Topic: Error in routine elphon_shuffle_wrap (1): Problem with modes file
- Replies: 5
- Views: 9226
Re: Error in routine elphon_shuffle_wrap (1): Problem with modes file
This is because phonon is not properly calculated. Or you changed phonon q1, q2 and q3 changed at mid of calculation. I faced this problem also
- Wed Dec 14, 2022 7:13 am
- Forum: General discussion
- Topic: how to set fsthick and.....
- Replies: 3
- Views: 6193
Re: how to set fsthick and.....
How to get maximum phonon frequecy for wscut setting? when I see ph.out file it is too big 10HZ. Any one help me?
- Sat Dec 03, 2022 10:18 am
- Forum: Running the code
- Topic: Error message: dis_spheres_first_wann is larger than num_ban
- Replies: 7
- Views: 15329
Re: Error message: dis_spheres_first_wann is larger than num_ban
projection block in EPW input is not clear to me! some people uses like s;p other uses f= 0.0 0.5 ...,s etc. how to understand it clearly. Any tutorials related to it?
- Tue Nov 29, 2022 5:54 am
- Forum: Running the code
- Topic: MPIRUN errors
- Replies: 18
- Views: 22230
Re: MPIRUN errors
Thanks, dear all! I revealed the trick by myself: if it is helpful to someone Looks how I revealed it. 1. error has occurred while I use the run program mpiexec -np 32 pw.x <epw.in>epw.out 2. So, my problem is solved when i use mpiexec /home/kunsa24/q-e-qe-7.0/bin/epw.x -nk 16 -in epw.in>epw.out ...
- Mon Nov 28, 2022 1:43 pm
- Forum: Running the code
- Topic: MPIRUN errors
- Replies: 18
- Views: 22230
Re: MPIRUN errors
Waiting for input... Waiting for input... IMPORTANT: XC functional enforced from input : Exchange-correlation= PZ ( 1 1 0 0 0 0 0) Any further DFT definition will be discarded Please, verify this is what you really want G-vector sticks info -------------------- sticks: dense smooth PW G-vecs: dense ...