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- Fri Jun 01, 2012 7:12 pm
- Forum: Ground state
- Topic: Error in generating Rock Salt structure
- Replies: 0
- Views: 2846
Error in generating Rock Salt structure
Hi Every One I am trying to generate Rock salt like structure with Tellurium atoms occupying Cl position and Ge, Se occupying the Na Positions. Unit cell which I am taking consists of 27 atoms. Positions of 27 atoms is read from xred. After the code is run following error appears in the log file sym...