In fact according to the manual you need to specify "WaveFuncKPoints",
otherwise it doesn't write it. I juste tried it then works fine.
as an example add this to your input file
%block WaveFuncKPoints
0.000 0.000 0.000 from 1 to 10 # Gamma wavefuncs 1 to 10
2.000 0.000 0.000 1 3 5 # X wavefuncs 1,3 and 5
1.500 1.500 1.500 # K wavefuncs, all
%endblock WaveFuncKPoints
Fedwa
Le 4 mars 05, à 11:22, Fedwa El-Mellouhi a écrit :
Hi,
In the same context, I wanted Wavefuctions for the same tests.
Even if I specify "WriteWaveFunctions .true.", the program
doesn't provide any *.WFS files.
What's wrong ?
Fedwa
Le 4 mars 05, à 10:22, Mike F. Lisowski a écrit :
Hello Everyone,
I am trying to run Si in Siesta and want to get the wavefunction files
for
use with Denchar. I changed the longOutput .true. but I still do not
seem
to get the WFS files. What am I doing wrong?
*******************************************************************
Fedwa El-Mellouhi tél: +1 (514) 343-6111 ext:1088
Ph. D. Student fax: +1 (514) 343-2071
Département de physique
Université de Montréal
C.P. 6128, succ. Centre-ville
Montréal (Québec) H3C 3J7
Canada [EMAIL PROTECTED]
*******************************************************************
*******************************************************************
Fedwa El-Mellouhi tél: +1 (514) 343-6111 ext:1088
Ph. D. Student fax: +1 (514) 343-2071
Département de physique
Université de Montréal
C.P. 6128, succ. Centre-ville
Montréal (Québec) H3C 3J7
Canada [EMAIL PROTECTED]
*******************************************************************
