[QE-users] Problem in volume relaxation
Julaiba Tahsina Mazumder
julaibatahsina at rnd.iitg.ac.in
Wed Jan 25 04:49:44 CET 2023
Dear All
I have tried to do volume relaxation but it is not converging. After
200-300 cycles it stops. I have attached my input file. Kindly help me out.
Thank you in advance
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20230125/cf3b9caa/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: vc-relax (2).in
Type: application/octet-stream
Size: 868 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20230125/cf3b9caa/attachment.obj>
More information about the users
mailing list