ABINIT Discussion Forums

How to modify the vshift in the determination of U (J) ( paw+U calculations) , i try to augment it by modified pawujv , but it didn't work :s :s i found in the output file :
vshift is too small 0.00 0.00 !!

Dear Phialberta,

Does the "vshift" input variable exists? I cannot find it on http://www.abinit.org/documentation/helpfiles/for-v7.4/input_variables/keyhr.html Do you mean "atvshift"?

If so could you give us more informations? Maybe provide the input and output file of your calculation (not the log that will be to large).

Best regards,

Samuel Poncé.

Hello sponce, in fact, I have not found in the list of input variables, I tried to change it by atvshift but it did not work. it still shows me the error message: vshift is too small 0.00 0.00 !!