Dear Reyhaneh, for example , if you  want to write the wavefunction of gamma
point, you need to add these to fdf.

WaveFuncKPointsScale  pi/a
%block WaveFuncKPoints
0.000  0.000  0.000
%endblock WaveFuncKPoints
WriteWaveFunctions  .true.


shanghui

-- 
PHD candidate
Division of Theoretical and Computational Sciences
Hefei National Laboratory for Physical Sciences at the Microscale
University of Science & Technology of  China
Hefei, Anhui  230026, P.R.China
http://home.ustc.edu.cn/~shh

Responder a