Research Profile

Seek and you shall find...

DOSCAR Utility: Update 3

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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DOSCAR Utility: Update 2

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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Quantum Engineering Design Course: New Website

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

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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FORTRAN Tip: Convert a String to Other Types

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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DOSCAR Utility

This program is for splitting DOSCAR file created by VASP and/or sum up the atomic projected DOS over some groups of atoms

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Welcome!

Hello everybody!

Welcome to my personal home page.

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