[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 R2V

[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.