How can I make PROOUT file in vasp 4.6?
Posted: 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>
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>