[Wien] format of printing
fatemeh.mirjani
f_mirjani at ph.iut.ac.ir
Mon Sep 29 09:24:58 CEST 2008
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
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|Fatemeh Mirjani | Email: f_mirjani at ph.iut.ac.ir |
|Computational Condensed Matter Research Lab. | Tel/Fax Office: +98311-3913746 |
|ICTP Affiliated Center in Isfahan, | Tel Lab.: +98311-3913731 |
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