Post by Admin on Dec 12, 2018 19:32:47 GMT
1. Installation
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- download the binary package.
- make a directory exp: 'mkdir /home/user/pwcup'.
- extract the package with the command 'tar -xzvf PWcup_2.1_bin_x64.tar.gz' into '/home/user/pwcup'.
- run '/home/user/pwcup/pwcup' (from the prompt, the recommended way)
2. Configuration
step1:
Before using PWcup, one must adjust some parameters according to your needs.
In the first run, PWcup, shows message asking for setup parameters. The buttons “New” and “Load” remain disabled.
Before using PWcup, one must adjust some parameters according to your needs.
In the first run, PWcup, shows message asking for setup parameters. The buttons “New” and “Load” remain disabled.
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step2:
In the window “Settings”, only the first field is required, which is the quantum-ESPRESSO path. PWcup use the executable linked in “qe/bin” directory and documentation from “qe/doc” directory.
Documentation about compiling the quantum-ESPRESSO package can be found here. The other parameters are optional, which are the XCrySDen path and an eventually pseudopotential’s path.
You can also choose the preferred file editor. PWcup comes with an integrated editor (the default choice)
In the window “Settings”, only the first field is required, which is the quantum-ESPRESSO path. PWcup use the executable linked in “qe/bin” directory and documentation from “qe/doc” directory.
Documentation about compiling the quantum-ESPRESSO package can be found here. The other parameters are optional, which are the XCrySDen path and an eventually pseudopotential’s path.
You can also choose the preferred file editor. PWcup comes with an integrated editor (the default choice)
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step3:
After all required fields filled you can save the settings. It will ask you to restart the program to apply changes. If all the parameters are correct, the buttons “New” and “Load” are enabled.
After all required fields filled you can save the settings. It will ask you to restart the program to apply changes. If all the parameters are correct, the buttons “New” and “Load” are enabled.
Good luck 
