[QE-users] Error in computing Mean Square Displacement using QHA

[Pooja Vyas]

Dear users,
I want to compute MSD of CaO using QHA module for expanded lattice constant
=10.2174 a.u (9.1334 a.u being equlilibrium lattice constant). But I face
some error and my MSD is not generated. Attached file has force constant
and the error faced during calculation.
Any kind of help to solve the error is appreciated.
Thanks and regards.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20200528/b968f931/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: Error file
Type: application/octet-stream
Size: 99836 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20200528/b968f931/attachment.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: 10.2174.fc
Type: application/octet-stream
Size: 149856 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20200528/b968f931/attachment-0001.obj>