[Pw_forum] Phonon calculation for UREA
Miao, Maosheng
mmiao at wsu.edu
Thu Oct 5 20:00:50 CEST 2006
Hi,
Thanks for helping me compile the program. Now I get into deeper
trouble. :-) I am doing phonon calculation for urea. The geometry was
optimized. But then program crash while I run ph.x. The input for phonon
calculation is:
phonons of Urea at Gamma
&inputph
tr2_ph=1.0d-14,
prefix='UREA',
epsil=.true.,
amess(1)=12.011,
amess(2)=14.007,
amess(3)=15.999,
amess(4)=1.008,
outdir='./temp/',
fildyn='UREA.dynG',
/
0.0 0.0 0.0
The ph.x crashed and give error messgae like:
Program PHONON v.3.1.1 starts ...
Today is 5Oct2006 at 10:14: 6
Parallel version (MPI)
Number of processors in use: 4
R & G space division: proc/pool = 4
Ultrasoft (Vanderbilt) Pseudopotentials
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%%%%%
from phq_readin : error # 4324
reading inputph namelist
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%%%%%
stopping ...
Can anybody show me what could be wrong?
Thanks,
Maosheng
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