UT theoretical chemistry code forum

Thanks for the quick response. I ran vasp with LAECHG = .TRUE. LADDGRID=.TRUE. added to the INCAR, but I neglected the NGX, NGY, NGZ and NGXF, NGYF, NGZF-tags. Bader ran successfully and gave perhaps reasonable results. What are appropriate range of NG values? I got a total electron number of 174. A...

I followed the directions specified here (http://theory.cm.utexas.edu/vtsttools/dos/) to compile this on Kraken (http://www.nics.tennessee.edu/computing-resources/kraken/). It compiled successfully, but when I try to run the example Cu_3Pt inputs, but I get this error when running vasp: internal ERR...