[Pw_forum] problems in the el-ph/phonon calculations

[陳 少華]

Dear forum's members,

I got the error message from q2r.out :

The transform length (ARG NO. 9) is not an allowed
value.
The next higher allowed value is (2).

And I found the reply from Paolo in "search archive" :

the code performs a FFT to bring force constants from
reciprocal to real space (this is why it is called
"q2r"). The FFTs in IBM ESSL libraries do not like to
perform FFT with dimension 1 (or 3, or 5,...).
The simplest soultion is to copy your dynamical
matrices to another machine whose FFT's do not
complain.

Paolo

So I copy dynamical matrices to another machine. 
But I got the error as below :

forrtl: severe (59): list-directed I/O syntax error,
unit 51, file /home/max/a2Fq2r.51
Image              PC        Routine            Line  
     Source
q2r.x              0816D170  Unknown              
Unknown  Unknown
q2r.x              0816B671  Unknown              
Unknown  Unknown
q2r.x              08140BCE  Unknown              
Unknown  Unknown
q2r.x              08109F4A  Unknown              
Unknown  Unknown
q2r.x              0811FED5  Unknown              
Unknown  Unknown
q2r.x              0811F57C  Unknown              
Unknown  Unknown
q2r.x              0804F8E3  Unknown              
Unknown  Unknown
q2r.x              0804B86F  Unknown              
Unknown  Unknown
q2r.x              080498CA  Unknown              
Unknown  Unknown
libc.so.6          40079EA0  Unknown              
Unknown  Unknown
q2r.x              080497F1  Unknown              
Unknown  Unknown

I still could get *.fc but could not get a2Fmatdyn.6?.
Does anyone know why and how to solve this problem ?

Thanks in advance

max
PhD candidate
Physics department, Taiwan university, Taiwan



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