[Pw_forum] cp.x output: .pos

Paolo Giannozzi giannozz at democritos.it
Sat Aug 18 21:00:58 CEST 2012


On Aug 6, 2012, at 18:11 , xiaochuan Ge wrote:

> That is, different snapshots are separated by an extra line which
>  indicates the step number and the time of this snapshot. But with
>  the newest version that I compiled on cineca-plx, this extra line
>  disappears.

In CPV/src/printout_base.f90, locate lines 220 and 221:
     IF( PRESENT( nfi ) .AND. PRESENT( tps ) ) THEN
     ELSE IF( PRESENT( what ) ) THEN
insert the following line:
         WRITE( iunit, 30 ) nfi, tps
between the two lines above. It has been removed by mistake,
as it is evident from the absence of any instruction between
IF and ELSE

P.
---
Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222







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