[QE-users] error in phonon calaculation

Sabike Ghasemi s.ghasemi at du.ac.ir
Sun Jun 2 15:16:43 CEST 2019


hi all, 
after calculating scf for a 2d material,i did phonon calculation.i faced wih error. 
my input file : 
phonons of ...... at Gamma 
&inputph 
tr2_ph=1.0d-12, 
prefix = "......" 
epsil=.true., 
trans=.true., 
! lraman=.true., 
!elop=.true., 
zeu=.true., 
zue=.true., 
amass(1)= .......... 
amass(2)=.............. 
outdir='./out', 
fildyn='......dynG', 
fildrho='.......drho', 
/ 
0.0 0.0 0.0 




Error in routine davcio (30): 
error while writing from file "/scratch/antwerpen/201/vsc20106/Ghasemi/ice-h/dielectricconstant/./out/_ph0/ice.ebar1" 

do everyone help me? 





sabike ghsemi 
phd student, damghan university, Iran 

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20190602/15016598/attachment.html>


More information about the users mailing list