Dear ELK Developers,
I tried runing Dry run for phonons using Task 201 in elk-3.3.17 and some earlier too. However, I did not obtain the DYN matrices. However, when I tried the same using older version of elk elk-1.4.18 o got the task done.
Please check the issue.
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... incidently, task=201 is the same as task=200 (i.e. a supercell phonon calculation), but starting from existing STATE_Qqqqq_qqqq_qqqq_Sss_Aaa_Pp.OUT files.
Kay.
If you would like to refer to this comment somewhere else in this project, copy and paste the following link:
Dear ELK Developers,
I tried runing Dry run for phonons using Task 201 in elk-3.3.17 and some earlier too. However, I did not obtain the DYN matrices. However, when I tried the same using older version of elk elk-1.4.18 o got the task done.
Please check the issue.
Hi,
Thanks for pointing this out.
The dry run task in elk-3.3.17 is 202 not 201. I've updated the manual to reflect this.
Regards,
Kay.
... incidently, task=201 is the same as task=200 (i.e. a supercell phonon calculation), but starting from existing STATE_Qqqqq_qqqq_qqqq_Sss_Aaa_Pp.OUT files.
Kay.
Dear Kay..
Thanks for the prompt response Kay..
Please let me know from where can I get updated manual?
So how to interpolate the coarse q-mesh to arbitrary fine q-mesh for the supercell phonon calculation? Should I use the task=202?