[Pw_forum] Making valance band maximum to align at 0 level

[Sitangshu Bhattacharya]

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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