[QE-developers] bugs while calaulating elph in QE 6.4.1
w
west_lifer at 163.com
Mon Oct 28 03:20:27 CET 2019
It is my pleasure to write to you.
While calculating elph of MgB2 after using elph.in file , I found that some numbers in
mb2.dyn1-17(all of the mb2.dyn file) becomes " ********* ”, so I can't calculate q2r.in .
But calculate phonons with ph.in , no " ****** " are found in mb2.dyn files , all mb2.dyn are good.
I am using QE 6.4.1.
For the inputs , Please find the attached file.
Thanks !
Jack Wen
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/developers/attachments/20191028/72ab4390/attachment-0001.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: input.tar.gz
Type: application/x-gzip
Size: 640909 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/developers/attachments/20191028/72ab4390/attachment-0001.bin>
More information about the developers
mailing list