Printing

This page gives hints on how to print some useful quantities with the ABINIT package.

Introduction

Many quantities are computed, but not reported in the main ABINIT output file.
On demand, they can be printed thanks to the following prt⟨suffix⟩ input variables. Usually, a corresponding file suffixed with _⟨suffix⟩ will be printed. In other cases, the main output will be modified to contain the data.

Related Input Variables

prpot:

• prtpot PRinT total POTential
• prtvclmb PRinT V CouLoMB
• prtvha PRinT V_HArtree
• prtvhxc PRinT V_HXC
• prtvpsp PRinT V_PSeudoPotential
• prtvxc PRinT V_XC

prfermi:

• fermie_nest FERMI Energy for printing the NESTing function
• prtfsurf PRinT Fermi SURFace file
• prtnest PRinT NESTing function

prden:

• prt_lorbmag PRinT L ORBital MAGnetic moment inside PAW spheres
• prtden PRinT the DENsity
• prtdensph PRinT integral of DENsity inside atomic SPHeres
• prtebands PRinT Electron BANDS
• prteig PRinT EIGenenergies
• prtgden PRinT the Gradient of electron DENsity
• prtkbff PRinT Kleynman-Bylander Form Factors
• prtkden PRinT the Kinetic energy DENsity
• prtkpt PRinT the K-PoinTs sets
• prtlden PRinT the Laplacian of electron DENsity
• prtwf PRinT the WaveFunction
• prtwf_full PRinT Wavefunction file on the FULL mesh

prgeo:

• prtatlist PRinT by ATom LIST of ATom
• prtcif PRinT Crystallographic Information File
• prtgeo PRinT the GEOmetry analysis
• prtposcar PRinT POSCAR file

prdos:

• dosdeltae DOS DELTA in Energy
• iatsph Index for the ATomic SPHeres of the atom-projected density-of-states
• natsph Number of ATomic SPHeres for the atom-projected density-of-states
• natsph_extra Number of ATomic SPHeres for the l-projected density-of-states in EXTRA set
• prtdos PRinT the Density Of States
• prtdosm PRinT the Density Of States with M decomposition
• ratsm Radii of the ATomic spheres SMearing
• ratsph Radii of the ATomic SPHere(s)
• ratsph_extra Radii of the ATomic SPHere(s) in the EXTRA set
• xredsph_extra X(position) in REDuced coordinates of the SPHeres for dos projection in the EXTRA set

prgs:

• ncout Print netCDF output files
• prt1dm PRinT 1-DiMensional potential and density
• prtbltztrp PRinT output for BoLTZTRaP code
• prtddb PRinT the Derivative Data Base file
• prtdipole PRinT DIPOLE
• prtelf PRinT Electron Localization Function (ELF)
• prtevk PRinT EVK
• prtgsr PRinT the GSR file
• prthist PRinT the HISTory file
• prtnabla PRint NABLA
• prtprocar PRinT PROCAR file
• prtpsps PRint the PSPS file
• prtspcur PRinT the SPin CURrent density
• prtstm PRinT the STM density
• prtvdw PRinT Van Der Waals file
• prtvol PRinT VOLume
• prtvolimg PRinT VOLume for IMaGes
• prtwant PRinT WANT file
• prtxml PRinT an XML output
• write_files write files

prngs:

• prepscphon PREPare Self-Consistent PHONon calculation
• prtbbb PRinT Band-By-Band decomposition
• prtefmas PRint EFfective MASs data
• prtgkk PRinT the GKK matrix elements file
• prtphbands PRinT PHonon BANDS
• prtphdos PRinT the PHonon Density Of States
• prtphsurf PRinT PHonon iso-SURFace
• prtsuscep PRinT the SUSCEPtibility file (the irreducible polarizability)

prmisc:

• istatr Integer for STATus file rate
• istatshft Integer for STATus file SHiFT

Selected Input Files

No input file associated to this topic.