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FROM: users on behalf of
Soumyadeep
SENT: Tuesday, August 18, 2020 7:53:27 AM
TO: Users
SUBJECT: [QE-users] How to recover structural parameters from QE
&#x
Dear Lorenzo,
Thanks for the answer.
On 18-08-2020 20:49, Lorenzo Paulatto wrote:
Is it possible to recover structural parameter > like
a, b, c, angles
You can easily recover a, b, c and angles with pen, paper and
eventually a pocket calculator. Please check this reference manual:
https:/
Is it possible to recover structural parameter > like
a, b, c, angles
You can easily recover a, b, c and angles with pen, paper and eventually
a pocket calculator. Please check this reference manual:
https://onlinemschool.com/math/library/vector/angl/
wykoff positions just like Rietveld f
August 18, 2020 7:53:27 AM
To: Users
Subject: [QE-users] How to recover structural parameters from QE 'vc-ralax'
calculation
Dear All,
Suppose I am doing a "vc-relax" calculation in quantum espresso
starting from experimental structure. Now I want to apply hydrostatic
pressure b
Dear All,
Suppose I am doing a "vc-relax" calculation in quantum espresso
starting from experimental structure. Now I want to apply hydrostatic
pressure by using 'press' flag in &cell namelist and optimize further.
Is it possible to recover structural parameters (like a, b, c, angles
and
