[QE-users] (no subject)

2024-09-04 Thread fatemeh mahmudi
​How do I optimize the cutoff energy for the wave function and the cutoff kinetic energy for the density?___ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military

[QE-users] How do I optimize the cutoff energy for the wave function and the cutoff kinetic energy for the density?

2024-09-04 Thread fatemeh mahmudi
​___ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military offensive has on their country and on the free and peaceful scientific, cultural, and economic cooperatio

[QE-users] (no subject)

2024-07-11 Thread fatemeh mahmudi
​Hello, I used the following commands to install Quantum Espresso on Debian 9. Is it correct? apt-get update apt-get upgrade apt-get install gfortran apt-get install mpich apt-get install quantum-espresso please help me. ___ The Quantum ESPRESS