[Pw_forum] error in the el-ph calculation
Jia-An Yan
jiaanyan at gmail.com
Tue Oct 10 20:31:00 CEST 2006
Hi everyone,
I am running the el-phonon calculations for the Al in the example07. When I
get to the al.elph.in part, the program always stops at the third q-points
with an error message as follows:
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
task # 2
from potinit : error # 1
starting and expected charges differ
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
and in the al.elph.out it says:
The potential is recalculated from file :
al.save/charge-density.xml
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
from potinit : error # 1
starting and expected charges differ
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
I use the original input file in the example. I don't know what causes such
error.
Can anyone here help me? Thanks!
Sincerely,
Jia-An Yan
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