Dear Sir, There is a strange problem I am suffering from. I did an unshifted nscf say 18 18 1. The calculation runs and produces an output with top of the valance band as 0 level and the conduction minimum at say x level.
However, when I do the same nscf with shifted grid say now with 18 18 1 1 1 1, the VBM changes to -x/2 while the CBM is at x/2. My question is can I change this back into 0 and x level? With regards, ********************************************** Sitangshu Bhattacharya (সিতাংশু ভট্টাচার্য), Ph.D Assistant Professor, Room No. 2221, CC-1, Nanoscale Electro-Thermal Laboratory, Department of Electrical and Communication Engineering, Indian Institute of Information Technology-Allahabad Uttar Pradesh 211 012 India Telephone: 91-532-2922000 Extn.: 2131 Web-page: http://profile.iiita.ac.in/sitangshu/ Institute: http://www.iiita.ac.in/
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