2010
DOSCAR Utility: Update 3
13/08/2010 17:01
This program is for splitting DOSCAR file created by VASP and/or sum up the atomic projected DOS over some groups of atoms
WHAT’S NEW
• Now LORBIT=2 (in INCAR file) is not required anymore
• Added information for projected DOS (l- or l,m-)
• Added information for orbital types (s, p, d, f)
• Fixed a bug in the length of the first input argument
• Now the Fermi level can be shifted (to zero) manually
• Updated program help
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WHAT’S NEW
• Now LORBIT=2 (in INCAR file) is not required anymore
• Added information for projected DOS (l- or l,m-)
• Added information for orbital types (s, p, d, f)
• Fixed a bug in the length of the first input argument
• Now the Fermi level can be shifted (to zero) manually
• Updated program help
Read More...
DOSCAR Utility: Update 2
04/08/2010 02:07
This program is for splitting DOSCAR file created by VASP and/or sum up the atomic projected DOS over some groups of atoms
WHAT’S NEW
• Fixed a bug (for systems which have more than 100 atoms)
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WHAT’S NEW
• Fixed a bug (for systems which have more than 100 atoms)
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Quantum Engineering Design Course: New Website
01/05/2010 04:33
Finally, the new website of Quantum Engineering Design Course (QEDC) have been launched. The QEDC is a special program of Graduate School of Engineering, Osaka University. The purpose of this program is to equip a new generation of young scientists with fundamental knowledge and cutting-edge research skills in the fast-developing field of science and engineering.
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DOSCAR Utility: Update 1
18/02/2010 01:19
This program is for splitting DOSCAR file created by VASP and/or sum up the atomic projected DOS over some groups of atoms
WHAT’S NEW
• Fixed a bug in reading Emin, Emax
• Optimised program structure
• Fixed a bug in sum up Projected DOS of two atoms
• Changed command-line options (added more)
• Improved reading command-line options (more strict)
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WHAT’S NEW
• Fixed a bug in reading Emin, Emax
• Optimised program structure
• Fixed a bug in sum up Projected DOS of two atoms
• Changed command-line options (added more)
• Improved reading command-line options (more strict)
Read More...
FORTRAN Tip: Convert a String to Other Types
16/02/2010 23:41
How to convert a string to other types (and vice versa) in FORTRAN?
When I was making the DOSCAR tool, I had to convert some data from integer to string. I found that the easiest way is using a character variable as the file name and read or write the I/O list.
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When I was making the DOSCAR tool, I had to convert some data from integer to string. I found that the easiest way is using a character variable as the file name and read or write the I/O list.
Read More...
DOSCAR Utility
10/02/2010 23:45
This program is for splitting DOSCAR file created by VASP and/or sum up the atomic projected DOS over some groups of atoms
Read More...
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