[QE-users] Fwd: Reagrding md problem in input file

Gulshan Kumar kumargulshan at iitgn.ac.in
Sun Dec 24 13:29:31 CET 2023


Dear sir,

I am having trouble regarding this
1. When I do temperature calculations, it ignores the cell
parameters segment because I want to check how the atomic positions and
cell parameters will be after increasing the temperature.
2. When I do ion_temperature = 'nose', it does not recognize the nose
temperature.
I appreciate your support.
Thank you

-- 
Gulshan Kumar
Ph.D. -EH
IIT Gandhinagar
+91 8218855757
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