how to import output from pwscf
Posted: Wed Sep 12, 2018 9:58 am
I have gone through the documentation but not getting it clearly. Anyone please explain it step by step. Thanks
"IOTK support
To import output from PWscf/Quantum-Espresso, the IOTK libraries (Input/Output ToolKit, bundled with the QE distribution) need to be linked. Provide the path to the IOTK directory in the compiled PWscf source, and specify the version of PWscf, e.g.:
./configure --with-iotk='/usr/local/src/espresso-4.0/iotk' --with-p2y=4.0
On some HPC systems you might have to compile PWscf yourself to make the IOTK libraries available. "
"IOTK support
To import output from PWscf/Quantum-Espresso, the IOTK libraries (Input/Output ToolKit, bundled with the QE distribution) need to be linked. Provide the path to the IOTK directory in the compiled PWscf source, and specify the version of PWscf, e.g.:
./configure --with-iotk='/usr/local/src/espresso-4.0/iotk' --with-p2y=4.0
On some HPC systems you might have to compile PWscf yourself to make the IOTK libraries available. "