[Wien] A intherface to ATAT

2009-09-12 Thread wien2k_ocm
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[Wien] Lindhard function

2009-09-12 Thread Oleg Artamonov
Dear Wien2k users, How is it possible to get a dielectric function in the Lindhard approximation, especially its local meaning for the specified atom in a unit cell? Thanks in advance, Oleg Artamonov.

[Wien] How is VCOUL calculated?

2009-09-12 Thread Peter Blaha
All you need to change is case.in0 Substitue NR2V by R2V(leave TOT unchanged) John Rundgren schrieb: > Dear WIEN2k users, > It seems that w2web has no option for producing case.vcoul, so I consult > User's Guide 7.1.3. It says that TOT can be replaced by COUL (line 1) and > NR2V by R2