[CP2K-user] "Automatic basis set generation not activated" Error
Mohammad Shakiba
mshakiba.... at gmail.com
Sat Jul 18 17:41:05 UTC 2020
Hello everyone,
I tried to use ADMM method for hybrid functional but I face this error. I
actually modified an input from /tests/regtest-admm-1 but it does not work
for my structure which contains Cu, In, and Se. I really do not know why
this happens. Can someone please help me to fix this issue? Thank you so
much. I have attached my input below.
*** WARNING in qs_environment.F:665 :: Automatic Generation of AUX_FIT ***
*** basis. This is experimental code. ***
*******************************************************************************
* _____
*
* / \
*
* [ABORT]
*
* \_____/ Automatic basis set generation not activated *
* |
*
* O/|
*
* /| |
*
* / \
auto_basis.F:374 *
*******************************************************************************
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