[Wien] problems with dat and dsy file
Chandrika
rcais at cal3.vsnl.net.in
Sat Feb 10 06:28:36 CET 2007
Hello ,
When I ran phonon_lapw on a supercell of Al (2 x2 x 2) the dsy file is almost completely blank (except for a single line "number of k points 20").
The inputs were :
Al FCC (sg 225) optimised unit cell
K points for supercell : 20
rkmax : 9.5
The scf cycle converged with fc =1 Ry.
I have repeated the calculations with other convergence crtieria too.
The dsy file is blank and the dat file contains an incomplete list of forces (only for 11 atoms instead of 32 atoms).
There were no error files.
Could anyone please help.
Thank you,
Chandrika
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