I calculated phonon for a molecule, but obtained negative frequencies at
gamma point. What does this signify. I am providing the input file for ph.x
and lambda .x There is some problem for the input file for lambda.x since
it is not runing. Please provide a solution.
Electron-phonon coefficients
&inputph
tr2_ph=1.0d-10,
prefix = 'phn'
fildvscf='phndv',
amass(1)=10.81,
outdir='./',
fildyn='phn.dyn',
electron_phonon='interpolated'
el_ph_sigma=0.005,
el_ph_nsigma=10,
trans=.true.
/
0.0 0.0 0.0
input file for lambda.x
50 0.0012 1
1
0.0000000 0.0000000 0.0000000 1.00
lambda_1
0.10
--
Naiwrit Karmodak
Research Scholar,
C/o Prof E. D. Jemmis.
Inorganic and Physical Chemistry,
Indian Institute of Science, Bangalore-560012
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