jacopos86 / QE-TempRelax

QuantumEspresso temperature relaxation code
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install and examples #1

Open ypanhtu opened 2 weeks ago

ypanhtu commented 2 weeks ago

Dear Dr. Simoni,

It is very interesting for your code. Would you like to share some examples about this code to calculate the structure under a temperature by QE (such as QE7.3 version). In addition, how to install this code? It prints the following error when I put it into the QE7.3 and combile it by using the command "make all",

make[2]: No rule to make target trelibs'. Stop. make[2]: Leaving directory/work/public/QE/QE73' make[1]: [tldeps] Error 1 make[1]: Leaving directory `/work/public/QE/QE73/QE-TempRelax-main/src' make: *** [all] Error 1

Thank you so much.

Roc HTU

jacopos86 commented 2 weeks ago

I am sorry, this code is under development. It is not supposed to work. Right now I am not actively working on it.

First, could you please explain to me what you are trying to do ?

Thanks, Jacopo

On Fri, Aug 30, 2024 at 6:27 AM ypanhtu @.***> wrote:

Dear jacopos86,

It is very interesting for your code. Would you like to share some examples about this code to calculate the structure under a temperature by QE (such as QE7.3 version). In addition, how to install this code? It prints the following error when I put it into the QE7.3 and combile it by using the command "make all",

make[2]: No rule to make target trelibs'. Stop. make[2]: Leaving directory /work/public/QE/QE73' make[1]: [tldeps] Error 1 make[1]: Leaving directory `/work/public/QE/QE73/QE-TempRelax-main/src' make: *** [all] Error 1

Thank you so much.

Roc HTU

— Reply to this email directly, view it on GitHub https://github.com/jacopos86/QE-TempRelax/issues/1, or unsubscribe https://github.com/notifications/unsubscribe-auth/AIFFXFT432KAQSLJ2ZX5VJDZUBJKPAVCNFSM6AAAAABNMJKB3GVHI2DSMVQWIX3LMV43ASLTON2WKOZSGQ4TMOJXGM3DCNI . You are receiving this because you are subscribed to this thread.Message ID: @.***>

ypanhtu commented 2 weeks ago

Okay. I want to get the structure under a temperature by using QE. It looks like your code can work for this feature.

Thanks.