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[×ÊÔ´] ±È±íÃæ»ýÓë¿×¾¶·Ö²¼¼ÆËãÈí¼þporeblazer_v3.0.2

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!-------------------------------------------------------!
! Welcome to Poreblazer_v3.0.2/Linux/Windows XP         !
! Developed by: Lev Sarkisov, 2012                      !
! Cite: Sarkisov, Harrison, Molecular Simulation, 2011  !
!-------------------------------------------------------!

Step 1/8
!-------------------------------------------------------!
! Proceed with initialization and data input            !
!-------------------------------------------------------!

!-------------------------------------------------------!
! Initialization complete                               !
!-------------------------------------------------------!

Step 2/8
!-------------------------------------------------------!
! Starting preliminary lattice calculations             !
!-------------------------------------------------------!

!-------------------------------------------------------!
! Preliminary lattice complete                          !
!-------------------------------------------------------!

Step 3/8
!-------------------------------------------------------!
! Generation of helium-accessible lattice               !
!-------------------------------------------------------!

!-------------------------------------------------------!
! Generation of helium-accessible lattice complete      !
!-------------------------------------------------------!

Step 4/8
!-------------------------------------------------------!
! Generation of nitrogen-accessible lattice             !
!-------------------------------------------------------!

!-------------------------------------------------------!
! Generation of nitrogen-accessible lattice complete    !
!-------------------------------------------------------!

Step 5/8
!-------------------------------------------------------!
! Starting pore volume calculations                     !
!-------------------------------------------------------!

System volume in A^3:        5769.914
System mass, g/mol:          4929.100
System density, g/cm^3:         1.419
-------------------------------------------------------
If calculated density is  different from the  reported
crystallagraphic one,  make sure you remove unresolved
atoms from the adsrobent structure file
------------------------------------------------------

Helium volume in A^3:        2172.537
Helium volume in cm^3/g:        0.265

Geometric (point accessible) volume in A^3:        2572.845
Geometric (point accessible) volume in cm^3/g:        0.314

!-------------------------------------------------------!
! Pore volume calculations complete                     !
!-------------------------------------------------------!

Step 6/8
!-------------------------------------------------------!
! Starting surface area calculations                    !
!-------------------------------------------------------!

Accessible surface area in A^2:                       331.01£¨±È±íÃæ»ý£©
Accessible surface area per volume in m^2/cm^3:       573.68
Accessible surface area per mass in m^2/g:            404.41

!-------------------------------------------------------!
! Surface area calculations complete                    !
!-------------------------------------------------------!

Step 7/8
!-------------------------------------------------------!
! Starting pore size distribution calculations          !
!-------------------------------------------------------!

Cumulative PSD and differential PSD
have been stored in files psd_cumulative.txt
and psd.txt
!-------------------------------------------------------!
! Pore size distribution calculations complete          !
!-------------------------------------------------------!

Step 8/8
!-------------------------------------------------------!
! Starting limiting pore diameter and maximum pore size !
! analysis                                              !
!-------------------------------------------------------!

Pore limiting diameter in A:         5.40£¨¿×¾¶·Ö²¼£©
Maximum pore diameter in A:          7.01
  The system is percolated in            1  dimension (channels)£¨¿×µÀάÊý£©
!-------------------------------------------------------!
! Limiting pore diameter and maximum pore size          !
! analysis complete                                     !
!-------------------------------------------------------!

!-------------------------------------------------------!
! Simulation complete                                   !
!-------------------------------------------------------!
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