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 erro
Dear Oanh Nguyen,
Your input contains a lot of errors:
+ ibrav = 0 then A, B, C, cosAB, cosAC, cosBC will not be needed,
CELL_PARAMETERS info is required(as you provided)
A quick test by changing ibrav= 6 and remove the CELL_PARAMETER part
works for me.
You should check whether the cell inf
