[Pw_forum] How to include pressure dependence in quantum espresso

[Arles V. Gil Rebaza]

Dear Kapil, please read the QE website manual, in the section  &CELL, the
tad "press"

&CELL
<http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PW.html#idm956>

cell_dynamics
<http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PW.html#idm959>
 | press
<http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PW.html#idm978>
 | wmass
<http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PW.html#idm981>
 | cell_factor
<http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PW.html#idm984>
 | press_conv_thr
<http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PW.html#idm987>
 | cell_dofree
<http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PW.html#idm990>


Best

Dr. Arles V. Gil Rebaza
Instituto de Física La Plata
La Plata - Argentina


2017-11-02 13:56 GMT-03:00 KAPIL MANDAL <imkplm at gmail.com>:

> Dear concern,
> Can you please tell me about how to include pressure dependence in quantum
> espresso?
> Thank you
>
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>



-- 
###--------->   Arles V.   <---------###
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