Dear QE users,
There is a error when running Ph.x
Representation 190 1 modes -A Not done in this run
Representation 191 1 modes -A Not done in this run
Representation 192 1 modes -A Not done in this run
Representation 193 1 modes -A To be done
Representation 194 1 modes -A To be done
Representation 195 1 modes -A To be done
Representation 196 1 modes -A To be done
Representation 197 1 modes -A To be done
Representation 198 1 modes -A To be done
Compute atoms: 65, 66,
Alpha used in Ewald sum = 2.8000
negative rho (up, down): 2.128E-04 2.588E-04
PHONON : 1d 10h24m CPU 1d 12h20m WALL
Representation #193 mode # 193
Self-consistent Calculation
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine diropn (23):
error opening
/home/qeuser/Clarence/phosphorene/fe/fe-n2-v/_ph0/fe-n2-v.fe-n2-v.drho1
can not find the drho1 document.
And the input file is
&INPUTPH
outdir='/home/qeuser/Clarence/phosphorene/fe/fe-n2-v',
prefix='fe-n2-v',
tr2_ph = 1d-12,
ldisp = .true. ,
fildyn = '/home/qeuser/Clarence/phosphorene/fe/fe-n2-v/fe-n2-v.dyn' ,
fildrho = 'fe-n2-v.drho' ,
epsil=.false.,
trans=.true.,
nq1 = 1 ,
nq2 = 1 ,
nq3 = 1 ,
nat_todo = 2 ,
alpha_mix(1) = 0.07,
/
65 66
Best regards,
Clarence
City University of Hong Kong
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