Dear Peter Blaha and WIEN users
I was trying to solve the problem of electronic structure of 'Graphene'
using WIEN 2K. For this purpose I provide a=b=1.42A, c=0, angles alpha=90,
beta=90, gamma=120 and space group 191 (P6mmm), so as to obtain StructGen
for graphine, but the software does not accept c=0 and it automatically
makes c=1.42A, which is not true for graphene. Though it works well for
graphite when value of c is given. Can any body help me how to use WIEN 2K
for 2-dimensional and 1-dimensional problems.
Expecting an early help & with kind regards in anticipation.
K.S. Sharma
The IIS University, Jaipur, India
<sharma.krishnaswaroop at gmail.com>
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