Got it, Oleg. Thank you very much. Could successfully get the Tutorial_1 plots
as suggested in the newly modified tutorial page. Will try now with my own
calculations.
Best regards
Sanjeev
Dr. Sanjeev Kumar Srivastava
Associate P
In a normal runsp calculation, the sequence of program steps is:
x lapw1 -up # creates vectorup and energyup
x lapw1 -dn # vectordn energydn
x lapw2 -up # calculates EF from energy up/dn and clmvalup
x lapw2 -dn # clmvaldn
After an
Hi,
Using Wien2k , I have calculate the imaginary part of dielectric function
(epsilon2) as function of photon energy. I have two questions: :
1) How I can know at which high point symmetry , the epsilon2 is calculated
2 ) I need to calculate , with wien2k, the imaginary part of dielectric
func
Dear,all users of wien2k when i run the optimisation 4D it gives a erreur
number of structures: 15, 81 (3x3x3x3), 256 (4x4x4x4)
You must enter a proper value. Do it again.
number of structures: 15, 81 (3x3x3x3), 256 (4x4x4x4)
You must enter a proper value. Do it again.
number of structures: 15
You must enter a proper value. Do it again. => As the program tells you,
you need to enter a proper value (such as 15, 81 or 256) in the box to
the left of "specify the % change" in w2web.
On 5/21/2016 1:19 PM, ADIL ES-SMAIRI wrote:
Dear,all users of wien2k when i run the optimisation 4D it gi
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