I was able to run the examples. But when I started my own calculation. I
always have this error.
Here are the error messages.
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PCRoutineLineSource
xspectra.x 00444CAA
It is the latest version of QE 6.1. I will double check if I have used the
wrong psedopotential.
On Thu, Jun 15, 2017 at 4:10 PM, Paolo Giannozzi
wrote:
> QE version?
>
> On Thu, Jun 15, 2017 at 8:17 PM, Shize Yang wrote:
> > I was able to run the examples. But when I
27;methfessel-paxton' ,
/
&electrons
diagonalization='david'
mixing_mode = 'plain'
mixing_beta = 0.3
conv_thr = 1.0d-6
startingwfc='atomic'
electron_maxstep =200
/
ATOMIC_SPECIES
C 12.01070 C.pbe-hgh.UPF
H 1.00794 H.pbe-hgh.UP
