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Pressure parameters [SOLVED]
Posted: Tue Feb 19, 2019 11:35 am
by jlwindy
dear all
Can the abinit compute the system under pressure?What 's the main parameter?
Looking forward to your reply.
jlwindy
Re: Pressure parameters
Posted: Thu Feb 21, 2019 5:17 pm
by ebousquet
Dear jlwindy,
You can use the strtarget input flag
https://docs.abinit.org/variables/rlx/#strtarget.
Best wishes,
Eric
Re: Pressure parameters
Posted: Fri Feb 22, 2019 6:14 am
by jlwindy
Dear Eric
Thank you for your reply.
In example v6.t18,strtarget -4.75846d-4 -4.75846d-4 -4.75846d-4 0 0 0.How to determine the direction of the pressure?What's the d-4?Does it express 10-4?
Looking forward to your reply.Thank you.
jlwindy
Re: Pressure parameters
Posted: Tue Feb 26, 2019 3:45 pm
by ebousquet
Dear jlwindy,
Yes, d-4 means 10^-4, old notation...
strtarget is the stress, meaning that negative stress ("compression") gives positive pressure and positive stress ("expansion") gives negative pressure.
Best wishes,
Eric
Re: Pressure parameters
Posted: Sun Mar 03, 2019 7:37 am
by jlwindy
Dear Eric
Thank you very much.I get it.
best wishes.
jlwindy