[Wien] Use of in1new switch for spin orbit coupling

2010-05-04 Thread Ghosh SUDDHASATTWA
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[Wien] errors in lapwso

2010-05-04 Thread Bin Shao
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[Wien] Density error when switching off the symmetry of Aluminum FCC

2010-05-04 Thread Abedalhasan Breidi
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[Wien] Density error when switching off the symmetry of Aluminum FCC

2010-05-04 Thread Stefaan Cottenier
You should make all four positions explicitly inequivalent (by replacing the first space after 'Al' by 1-2-3-4, respectively) and do not skip the symmetry step (start with 0 symmetry operation in your initial case.struct, to let the proper symmetry operations be generated). Stefaan I want

[Wien] Optical Properties

2010-05-04 Thread Haleh Safdari
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[Wien] Optical Properties

2010-05-04 Thread hossien rahnama
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