UT theoretical chemistry code forum

I am using den2vasp, *.castep and *.den_fmt (~12 MB) to generate CHGCAR. It works more or less OK for 5 atom model with a warming about truncated #.den_fmt. For the crystal with 48 atoms CHGCAR contains huge numbers of several hundreds for direct coordinates. The same story with bad direct atomic coordinates when I produce *.cube file. Looks like the scripts do not read properly *,castep, I am using academic version of castep 21.11. Should I change array parameters den2vasp.f90 to be able to create correct CHGCAR? What is meaning of the warning about truncated *.den_fmt?

You will have to contact the authors of the den2vasp code for help with this; we do not use castep and do not have the expertise to help debug this.