calling some functions add automatically d4
jouteurestaque opened this issue · comments
hi
I am still using this version for a bit so did not try the new one.
But I noticed whatever I tried to call like b3lyp or pbe0, it adds the d4 automatically at the start of the censo program.
Thanks for this great program
Hi,
this is intended behavior to be in line with older versions where pbe0 or b3lyp would map to pbe0-d3 or b3lyp-d3.
If you want to use a density functional without any dispersion correction you have to call them like: b3lyp-novdw or pbe0-novdw. The available functionals without dispersion correction should be listed when calling censo -tutorial
indeed thanks now I see them. did not no what they were indeed.
thank you
I have a couple I will post