[Pw_forum] charge density difference

ÇÍÓÇä ÚÑíÞÇÊ ihsanas at yahoo.com
Sat Jul 28 15:52:37 CEST 2007


Dear pwscf users
I am trying to plot charge density difference (using
version 3.2).I can made IrO.charge ,Irclean .charge
and O.charge but when I tried to make charge density
difference ,I have error my  file is as shown below 
&inputpp
     
     /
 &plot
    nfile = 3
    filepp(1) = 'IrO.charge'
    filepp(2) ='Irclean.charge'
    filepp(3) ='O.charge'
    weight(1) = 1.0
    weight(2) = -1.0
    weight(3) = -1.0
    iflag = 2
    output_format = 2
    fileout = '1x1charge.rho.dat'
     e1(1) =0.0, e1(2)=0.0, e1(3) = 1.0,
    e2(1) =1.0, e2(2)=1.0, e2(3) = 0.0,
    nx=60, ny=64

/
The error 
forrtl: severe (174): SIGSEGV, segmentation fault
occurred
Image              PC        Routine            Line  
     Source
pp.x               082634E0  Unknown              
Unknown  Unknown
pp.x               0826029A  Unknown              
Unknown  Unknown
pp.x               08239EE5  Unknown              
Unknown  Unknown
pp.x               0823970C  Unknown              
Unknown  Unknown
pp.x               0806F2E1  Unknown              
Unknown  Unknown
pp.x               0804B06D  Unknown              
Unknown  Unknown
pp.x               08049B4B  Unknown              
Unknown  Unknown
pp.x               08049AC6  Unknown              
Unknown  Unknown
libc.so.6          001267E4  Unknown              
Unknown  Unknown
pp.x               08049A01  Unknown              
Unknown  Unknown
Can someone help me 
regards
Ihsan
physics department 
Jordan



       
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