[Wien] calculations of monoclinic and triclinic systems

Nirpendra Singh nsingh.phy at gmail.com
Sun Jul 11 13:58:02 CEST 2010


Dear all
              I am trying to do  the calculation for organic compounds
having Monoclinic and triclic structures. Is it possible to do the
calculation of these systems in wien2k. During init_lapw script, I am
geeting error in x dstart.

suggestions are requested in this regard


with regards
nsingh
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