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Commit 343ff8ef authored by Gregor Michalicek's avatar Gregor Michalicek
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Fix for issue #302.

parent 93751094
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Showing with 15 additions and 0 deletions
kpoints/kptmop.f
View file @ 343ff8ef
......@@ -258,6 +258,9 @@ c
+ '' and/or nmop(3) = 0'')') idsyst, idtype
WRITE (iofile,'(3(1x,i4),'' new val for nmop: '')')
+ (nmop(i),i=1,3)
CALL juDFT_warn(
+ "k point mesh not compatible with symmetry (1)",
+ calledby='kptmop')
ELSE
WRITE (iofile,'('' values accepted unchanged'')')
WRITE (iofile,'(3(1x,i4),14x,''nmop(i),i=1,3'')')
......@@ -274,6 +277,9 @@ c
+ '' we have set nmop(3) = 0'')') idsyst, idtype
WRITE (iofile,'(3(1x,i4),'' new val for nmop: '')')
+ (nmop(i),i=1,3)
CALL juDFT_warn(
+ "k point mesh not compatible with symmetry (2)",
+ calledby='kptmop')
ELSE
WRITE (iofile,'('' values accepted unchanged'')')
WRITE (iofile,'(3(1x,i4),14x,''nmop(i),i=1,3'')')
......@@ -290,6 +296,9 @@ c
+ '' we have set nmop(3) = 0'')') idsyst, idtype
WRITE (iofile,'(3(1x,i4),'' new val for nmop: '')')
+ (nmop(i),i=1,3)
CALL juDFT_warn(
+ "k point mesh not compatible with symmetry (3)",
+ calledby='kptmop')
ELSE
WRITE (iofile,'('' values accepted unchanged'')')
WRITE (iofile,'(3(1x,i4),14x,''nmop(i),i=1,3'')')
......@@ -320,6 +329,9 @@ c
+ '' we have set all nmop(i) = nmop(1)'')') idsyst, idtype
WRITE (iofile,'(3(1x,i4),'' new val for nmop(i): '')')
+ (nmop(i),i=1,3)
CALL juDFT_warn(
+ "k point mesh not compatible with symmetry (4)",
+ calledby='kptmop')
ELSE
WRITE (iofile,'('' values accepted unchanged'')')
WRITE (iofile,'(3(1x,i4),14x,''nmop(i),i=1,3'')')
......@@ -338,6 +350,9 @@ c
+ '' we have set nmop(2) = nmop(1)'')') idsyst, idtype
WRITE (iofile,'(3(1x,i4),'' new val for nmop: '')')
+ (nmop(i),i=1,3)
CALL juDFT_warn(
+ "k point mesh not compatible with symmetry (5)",
+ calledby='kptmop')
ELSE
WRITE (iofile,'('' values accepted unchanged'')')
WRITE (iofile,'(3(1x,i4),14x,''nmop(i),i=1,3'')')
......
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