[Wien] format of printing

[Peter Blaha]

The lines beginning with    !_REAL   or !_COMPLEX   get "activated"
when you compile with  "make" or "make complex", respectively.

fatemeh.mirjani schrieb:
> Dear all ;
> 
> I can extract the c coefficients from case.output1 but I want to extract them in another format. 
>  
> 
> in SRC_lapw1/wfpnt.F and SRC_lapw1/wfpnt1.F there are some commands that can print these coefficients. (I should put "WFPRI" switch in case.in1)
> but I have surprized that these commands are commented and I can extract them!
> 
>          DO 30  J = 1, NV
>             WRITE(6,6010) KZZ(1,J), KZZ(2,J), KZZ(3,J)
> #ifdef Parallel
> !_REAL                    WRITE(6,6020) (ZLOCAL(J,K),K=ILOWER,IUPPER)
> !_COMPLEX            WRITE(6,6020) (DBLE(ZLOCAL(J,K)),K=ILOWER,IUPPER)
> !_COMPLEX            WRITE(6,6021) (DBLE(ZLOCAL(J,K)*IMAG),K=ILOWER,IUPPER)
> #else
> !_REAL            WRITE(6,6020) (Z(J,K),K=ILOWER,IUPPER)
> !_COMPLEX!
> !_COMPLEX!        print the real-part of the eigenvectors
> !_COMPLEX!
> !_COMPLEX            WRITE(6,6020) (DBLE(Z(J,K)),K=ILOWER,IUPPER)
> !_COMPLEX!
> !_COMPLEX!        print the imaginary-part of the eigenvectors
> !_COMPLEX!
> !_COMPLEX            WRITE(6,6021) (DBLE(Z(J,K)*IMAG),K=ILOWER,IUPPER)
> 
> I change the format of commented lines and compile lapw1 again. but the result doesn't change. for example instead of 
> 
> !_REAL                    WRITE(6,6020) (Z(J,K),K=ILOWER,IUPPER)
> 
> I write:
> 
> !_REAL                    WRITE(6,*) (Z(J,K),K=ILOWER,IUPPER)
> 
> Would you plesae guide me that how I can print them with my desirable format?
> and should I change them in wfpnt.F or wfpnt1.F ?
> Should I change the format of ZLOCAL(J,K) or Z(J,K)?
> 
> Thanks in advance.
> Fatemeh

-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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