[CP2K-user] [CP2K:12550] Re: M06-2X DFT functional

[Frederick Stein]

Dear all,

The input section looks fine to me. I was using the same.
Basically, if you need some template input files, just have a look at our 
regtestsuite. It provides examples for the different functonalitites, too. 
For Libxc, you should have a look at the directory 
/your/cp2k/directory/tests/QS/regtest-libxc.

Sorry about the names. I meant XC_MGGA_C_M06_2X *not* XC_MGGA_XC_M06_2X! 
The functionals XC_MGGA_XC_M06_2X or XC_HYB_MGGA_XC_M06_2X do not exist in 
Libxc.

@Mohammad: What trunk version are you using? This warning should be absent 
in the latest trunk. We are now using a different Libxc flag for warnings.

Best,

Frederick
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