Hello all,
I am having trouble reading in a pseudopotential file for silicon based on Tutorial 3. In the tbase3_x.files, I changed the the last line to Si.GGA_PBE-JTH.xml. This was the only change I made in all. Please help me fix my error. Thanks! P.S. I attached two photos below of the code.
Help with various Pseudopotential files read in
Help with various Pseudopotential files read in
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Re: Help with various Pseudopotential files read in
I believe the error message is self-explanatory: you need to set the value of pawecutdg in the input file to run PAW calculations.
I would suggest to read the PAW tutorials and the documentation of pawecutdg before running PAW calculations.
I would suggest to read the PAW tutorials and the documentation of pawecutdg before running PAW calculations.