Errors in Energy

Posted on : May 07, 2018 (Mon) 00:40:41

by ali

Hello,
I use this input but I have this problem
***err in rmesha...odd meshr =*****
c----------------------GaAs----------------------------------
go gaas
c------------------------------------------------------------
c brvtyp a c/a b/a alpha beta gamma
fcc 10.684 , , , , , ,
c------------------------------------------------------------
c edelt ewidth reltyp sdftyp magtyp record
0.001 1.5 sra mjw mag 2nd
c------------------------------------------------------------
c outtyp bzqlty maxitr pmix
update 4 50 0.035
c------------------------------------------------------------
c ntyp
4
c------------------------------------------------------------
c type ncmp rmt field mxl anclr conc
Ga 1 1 0.0 2 31 100
As 1 1 0.0 2 33 100
Vc1 1 1 0.0 0 0 100
Vc2 1 1 0.0 0 0 100
c------------------------------------------------------------
c natm
4
c------------------------------------------------------------
c atmicx atmtyp
0 0 0 Ga
0.25 0.25 0.25 As
0.5 0.5 0.5 Vc1
0.75 0.75 0.75 Vc2
c------------------------------------------------------------
Thanks