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Added support for ESPRESSO_TMPDIR; removed nonstandard commas in write 

that some compilers don't like


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5643 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
giannozz 2009-07-07 06:46:17 +00:00
parent 2e5c87da7c
commit b3daf98bf0
1 changed files with 6 additions and 5 deletions
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11
XSpectra/xspectra.f90
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@ -1,5 +1,5 @@
!
! Copyright (C) 2001-2006 Quantum-ESPRESSO group
! Copyright (C) 2001-2009 Quantum-ESPRESSO group
! This file is distributed under the terms of the
! GNU General Public License. See the file `License'
! in the root directory of the present distribution,
@ -156,14 +156,15 @@ PROGRAM X_Spectra
!
! Set default values for namelist: (fforgot what is kedge)
! Set default values for namelist:
!
calculation='xanes'
prefix=''
verbosity='low'
x_save_file='xanes.sav'
outdir='./'
CALL get_env( 'ESPRESSO_TMPDIR', outdir )
IF ( TRIM( outdir ) == ' ' ) outdir = './'
xnepoint=100
xniter=50
xcheck_conv=5
@ -1025,7 +1026,7 @@ SUBROUTINE xanes_dipole(a,b,ncalcv,xnorm,core_wfn,paw_iltonhb,terminator,verbosi
WRITE(stdout,*)
WRITE(stdout,*) 'Starting k-point : ', ik
WRITE( stdout,'(" total cpu time spent up to now is ",F9.2," secs")'), timenow
WRITE( stdout,'(" total cpu time spent up to now is ",F9.2," secs")') timenow
current_k=ik
@ -1425,7 +1426,7 @@ SUBROUTINE xanes_quadrupole(a,b,ncalcv,xnorm,core_wfn,paw_iltonhb,terminator,ver
WRITE(stdout,*)
WRITE(stdout,*) 'Starting k-point : ', ik
WRITE( stdout,'(" total cpu time spent up to now is ",F9.2," secs")'), timenow
WRITE( stdout,'(" total cpu time spent up to now is ",F9.2," secs")') timenow
current_k=ik
IF(lsda) current_spin=isk(ik)