第一原理分子動力学プログラム STATE Senri Wiki

Miscellaneous information on the STATE code †

Examples of analyses †

• COOP analysis
• Vibrational mode analysis
  • CO/Cu(110) interface
• Charge density difference analysis

How-tos on the utility programs †

• chkinpf
• geom2nfinp
• slabgen
• shiftcps / rot cps
• vdos-simple

Examples of job scripts †

• smith
• ohtaka
• kugui
• SQUID
• Wisteria (Odyssey)