[QE-users] Pressure dependent geometry optimization in QE

[Soumyadeep]

Dear QE experts,

   Is there any module in Quantum Espresso which will optimize geometry 
with pressure?

   Suppose I want to modify an ambient pressure structure to 10 GPa 
pressure structure, is it possible in Quantum Espresso.

   Please note, "press" flag in "vc-relax" calculation not worked for me. 
Relaxed and unrelaxed structure gave same band structure. Hence there is 
no effect of pressure.

with best regards
Soumyadeep
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Soumyadeep Ghosh,
Senior Research Fellow,
Indus Synchrotrons Utilization Division,
Raja Ramanna Centre for Advanced Technology, Indore, India-452013
Mob: (+91)9424664553
User Lab: 0731244-2580
Email: soumyadeepghosh35 at gmail.com, soumyadeep at rrcat.gov.in
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