How can I make PROOUT file in vasp 4.6?

Message

byhill · #1 Post by **byhill** » Wed Mar 25, 2009 2:56 am

Dear all,

I have recently trid to make PROOUT file to analyze COOP, but failed. The calculation was normally finished, but PROOUT file was not generated.

The followings are my INCAR file.

SYSTEM = DOS_COOP
ISTART = 1
ICHARG = 11
PREC = normal
EDIFF = 1e-5
ENCUT = 400
ISMEAR = 0
SIGMA = 0.1
ALGO = fast
LREAL = F
NSW = 0
!--- FFT Grid ---!
NGX = 63
NGY = 63
NGZ = 150
!--- DOS (LDOS) ---!
LORBIT = 5
NPAR = 1
RWIGS = 1.058 0.820 0.370

I would like to know how I can make PROOUT file in VASP 4.6 (parallel version). Any advices will be appreciated.

Thank you in advance.

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

#2 Post by **admin** » Tue Mar 31, 2009 4:34 pm

the file is now named PROCAR