[Pw_forum] The error when use xcrysden and run pw.x for PdxTaSe2

Oanh Nguyen oanhn54 at gmail.com
Wed Oct 19 05:04:35 CEST 2016


I have a model PdxTaSe2 with x=0.1. I built input file with the convinient
cell (62 atom - 2 Pd, 20 Ta and - 40 Se)
I have bilayer in this model. So, when I use xcrysden to simulate this
model, I have problems with pwixsf.f :
"At line 131 of file pwixsf.f (unit=5,file='stdin'), Fortran runtime error:
Bad real number initem 1 of list  input"

When I run pw.x to create the wave function. threr is a problem is that :
"At line 1031 of file read_cards.f90
Fortran runtime error: Bad real number in item 1 of list input"

But don't find two file pwixsf.f and read_cards.f90.
Can you help me to fix them? Below is the input file
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