Program LMTART for electronic structure calculations

被引：32

作者：

Savrasov, SY ^{[1
]}

机构：

[1] New Jersey Inst Technol, Dept Phys, Newark, NJ 07102 USA

来源：

ZEITSCHRIFT FUR KRISTALLOGRAPHIE | 2005年 / 220卷 / 5-6期

关键词：

LTMART computer program; electronic structure; energy bands; phonon spectra; superconductivity; electron-phonon interaction; computational crystallography;

D O I：

10.1524/zkri.220.5.555.65067

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

A computer program LMTART for electronic structure calculations using full potential linear muffin-tin orbital method is described.

引用

页码：555 / 557

页数：3

共 19 条

[1] Extreme electron-phonon coupling in boron-based layered superconductors [J].

An, JM ;

Savrasov, SY ;

Rosner, H ;

Pickett, WE .

PHYSICAL REVIEW B, 2002, 66 (22) :1-4

[2]

ANDERSEN OK, 1975, PHYS REV B, V13, P3050

[3] First-principles calculations of the electronic structure and spectra of strongly correlated systems: The LDA+U method [J].

Anisimov, VI ;

Aryasetiawan, F ;

Lichtenstein, AI .

JOURNAL OF PHYSICS-CONDENSED MATTER, 1997, 9 (04) :767-808

[4] Calculated phonon spectra of plutonium at high temperatures [J].

Dai, X ;

Savrasov, SY ;

Kotliar, G ;

Migliori, A ;

Ledbetter, H ;

Abrahams, E .

SCIENCE, 2003, 300 (5621) :953-955

[5] Superconductivity near the vibrational-mode instability in MgCNi3 -: art. no. 220504 [J].

Ignatov, AY ;

Savrasov, SY ;

Tyson, TA .

PHYSICAL REVIEW B, 2003, 68 (22)

[6]

Lundqvist S., 1983, THEORY INHOMOGENEOUS

[7] Density functional study of the phase diagram and pressure-induced superconductivity in P: Implication for spintronics [J].

Ostanin, S ;

Trubitsin, V ;

Staunton, JB ;

Savrasov, SY .

PHYSICAL REVIEW LETTERS, 2003, 91 (08) :870021-870024

[8] LINEAR-RESPONSE CALCULATIONS OF LATTICE-DYNAMICS USING MUFFIN-TIN BASIS-SETS [J].

SAVRASOV, SY .

PHYSICAL REVIEW LETTERS, 1992, 69 (19) :2819-2822

[9] Linear response calculations of spin fluctuations [J].

Savrasov, SY .

PHYSICAL REVIEW LETTERS, 1998, 81 (12) :2570-2573

[10] A LINEARIZED DIRECT APPROACH FOR CALCULATING THE STATIC RESPONSE IN SOLIDS [J].

SAVRASOV, SY .

SOLID STATE COMMUNICATIONS, 1990, 74 (02) :69-72

← 1 2 →