Dear creators!
I have come across a difficulty in realization your program. Can you
explain, how to calculate the parameter U for the case, when the d-subshell
is completely full filled.(example Zn, Ag or 5d Hg, Tl, Pb)
I am grateful to you in advance.
Yours sincerely, the third year
Dear Prof.Blaha
* I am running wien version 12 on a machine of type 8 cores with
operating system Linux version 3.1.0-7.fc16.x86_64 , fortran compiler
ifort and math libraries cc.
* The purpose of my calculations is to get quantity structure and optic.
* I am running this case
The ‘init.sh’ script is buggy as some other users reported. Since you already
have numpy, I would suggest to edit ‘config.py’ and '.bashrc’ as described in
the Manual Installation section:
https://github.com/spichardo/BerryPI/wiki/Installation
Also, it would be a good idea to update to a new
Dear all: I am encountering a problem attempting to install BerryPI on a system
using Ubuntu 14.04.2 LTS (GNU/Linux 3.13.0-53-generic x86_64). I am using
Berry PI 1.1 and WIEN2K_14 but the problem shows up in trying to use init.sh to
set up Numpy. I have installed python2.7 as
The error says it is atom 5 (P) for an s-state at -8 Ry.
The in1c file for the 5th atom reads:
0.304 0 (GLOBAL E-PARAMETER WITH n OTHER CHOICES, global
APW/LAPW)
10.30 0.000 CONT 1
1 -8.83 0.001 STOP 1
0 -0.73 0.002 CONT 1
00.30 0.000
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