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- Sun Jan 04, 2009 4:39 am
- Forum: VTSTTools
- Topic: script chg2cube.pl
- Replies: 9
- Views: 21624
Re: script chg2cube.pl
Hello, I'm getting the same error. I am just running a 16 atom Fe and 1 N supercell. I enter the atomic numbers as: 26 7 and I get the "NUMBER OF ELEMENT TYPES DOES NOT MATCH NUMBER OF ATOMIC NUMBERS GIVEN" error My CHGCAR file looks like: FeN Oct Bulk Calc 1.00000000000000 5.740000 0.0000...