PARTIAL CHARGE question

[Eduard]

Dear All,

I am trying to generate some partial charge files. All - seems - to go O.K. excepting the following error message which I keep getting everytime:

"pardens.f", line 1201: 1525-093 The CLOSE statement cannot be processed because the CLOSE statement is not allowed on unit 0, which is connected to standard error. The program will recover by ignoring the CLOSE statement.
1525-099 The program is stopping because error recovery is not enabled.
ERROR: 0031-300 Forcing all remote tasks to exit due to exit code 1 in task 9
ERROR: 0031-250 task 0: Terminated
ERROR: 0031-250 task 16: Terminated
ERROR: 0031-250 task 17: Terminated
ERROR: 0031-250 task 18: Terminated
ERROR: 0031-250 task 19: Terminated
ERROR: 0031-250 task 20: Terminated
ERROR: 0031-250 task 21: Terminated
ERROR: 0031-250 task 22: Terminated
ERROR: 0031-250 task 23: Terminated
ERROR: 0031-250 task 24: Terminated
ERROR: 0031-250 task 25: Terminated
ERROR: 0031-250 task 26: Terminated
ERROR: 0031-250 task 27: Terminated
ERROR: 0031-250 task 28: Terminated
ERROR: 0031-250 task 29: Terminated
ERROR: 0031-250 task 30: Terminated
ERROR: 0031-250 task 31: Terminated

The INCAR file I am using contains the following tags:


########################################

SYSTEM = molecule-in-a-big-box


ISTART = 2 ! WAVECAR available
ICHARG = 11 ! keep charge fixed
ENCUT = 625 ! cut off energy

PREC = High ! precision high
ISPIN = 1 ! non-spin polarized calculation
ISIF = 2 ! calculate stress tensor
ISYM = 2 ! sym ON save memory
IDIPOL = 4 ! dipol moment in all directions

EDIFF = 5e-7 ! stopping crit for electr min
NELM = 100 !
NELMIN = 5 ! minimum 5 electronic steps
IALGO = 48 ! RMMDIIS for electrons


EDIFFG = -0.002571 ! stopping crit for ions 0.1 mRy/a.u.
NSW = 1 ! ionic steps
POTIM = 0.0052918 ! 0.01 a.u.
IBRION = 2 ! conjugate gradient for ions


ISMEAR = 0 ! Gaussian smearing
SIGMA = 0.05 ! broadening should be ok


LCHARG = TRUE ! write CHGCAR CHG files
LWAVE = TRUE ! write WAVECAR file
LREAL = Auto ! proj op eval in real sp

LPARD = TRUE
EINT = -11.000 -10.000
NBMOD = -2
LSEPB = FALSE
LSEPK = FALSE

LORBIT = 11 ! write DOSCAR PROCAR
NEDOS = 4001 ! nr of grid points in DOS



LPLANE = TRUE !
NPAR = 2 !
NSIM = 4 !

####################################

In spite of the previous error, the code generates the PARCHG file. My question is whether I can trust the obtained data, and how I can get rid of this message.

With all my best wishes,
Ed

<span class='smallblacktext'>[ Edited ]</span>

[admin]

the error is just on the close statement of the PARCHG-file, the data written in the file can be trusted.