[Pw_forum] q2r.x error
Sharad B. Pillai
sbpillai001 at gmail.com
Fri Sep 25 16:00:30 CEST 2015
Hello,
I am using 5.1.1 version of espresso
I performed ph.x calculation and it worked well, but on running q2r.in
file, the following error message is displayed
*At line 142 of file q2r.f90 (unit = 5, file = 'stdin')Fortran runtime
error: End of file*
Following are few lines around line 142 of q2r.f90
IF (ionode) THEN
OPEN (unit=1, file=TRIM(fildyn)//'0', status='old', form='formatted', &
iostat=ierr)
lnogridinfo = ( ierr /= 0 )
IF (lnogridinfo) THEN
WRITE (stdout,*)
WRITE (stdout,*) ' file ',TRIM(fildyn)//'0', ' not found'
WRITE (stdout,*) ' reading grid info from input'
READ (5, *) nr1, nr2, nr3
...............................line-142
READ (5, *) nfile
ELSE
WRITE (stdout,'(/,4x," reading grid info from file ",a)') &
TRIM(fildyn)//'0'
READ (1, *) nr1, nr2, nr3
READ (1, *) nfile
CLOSE (unit=1, status='keep')
END IF
ENDIF
Following message is from q2r.out
file $As.dynmat0 not found
Following is my As.dynmat0 file
6 6 1
20
0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00
0.000000000000000E+00 0.192450089729862E+00 0.000000000000000E+00
0.000000000000000E+00 0.384900179459723E+00 0.000000000000000E+00
0.000000000000000E+00 -0.577350269189585E+00 0.000000000000000E+00
0.166666666666667E+00 0.962250448649308E-01 0.000000000000000E+00
0.166666666666667E+00 0.288675134594792E+00 0.000000000000000E+00
0.166666666666667E+00 0.481125224324654E+00 0.000000000000000E+00
0.166666666666667E+00 -0.481125224324654E+00 0.000000000000000E+00
0.166666666666667E+00 -0.288675134594792E+00 0.000000000000000E+00
0.166666666666667E+00 -0.962250448649308E-01 0.000000000000000E+00
0.333333333333333E+00 0.192450089729862E+00 0.000000000000000E+00
0.333333333333333E+00 0.384900179459723E+00 0.000000000000000E+00
0.333333333333333E+00 0.577350269189585E+00 0.000000000000000E+00
0.333333333333333E+00 -0.384900179459723E+00 0.000000000000000E+00
0.333333333333333E+00 -0.192450089729862E+00 0.000000000000000E+00
0.333333333333333E+00 0.355761666572514E-16 0.000000000000000E+00
-0.500000000000000E+00 -0.288675134594792E+00 0.000000000000000E+00
-0.500000000000000E+00 -0.962250448649308E-01 0.000000000000000E+00
-0.500000000000000E+00 0.962250448649308E-01 0.000000000000000E+00
-0.500000000000000E+00 -0.866025403784377E+00 0.000000000000000E+00
Plese kindly guide me.
Thanks
...........................................................
Sharad B. Pillai
Research Student
MSU Baroda
Gujarat
India
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