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PWgui是Quantum Espresso的图形界面。 PWgui is a GUI for PWscf based programs from Quantum-ESPRESSO integrated suite of codes for electronic structure calculations and materials modeling at the nanoscale. The following PWscf modules are supported by the GUI: pw.x, neb.x, ph.x, pp.x, projwfc.x, bands.x, dos.x, d3.x, and ld1.x. This means PWgui is able to either "create" new or "edit" existing input files for these modules. In addition, it is possible to run the PWscf programs by using the PWgui. PWgui can also use the XCrySDen program (http://www.xcrysden.org/) for the visualization of atomic structures from the pw.x input/output files, or for the visualization of properties calculated via the sequence: pw.x --> pp.x (when the property was saved into an XSF file). PWgui is a GUI application that uses the Guib engine!!!

Quantum Espresso is an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials. Quantum-esprsso（第一性原理密度泛函理论为基础）前期被称为：PWscf程序包；后改名为：QUANTUM ESPRESSO程序包http://www.quantum-espresso.org/。其主要包括两大模块PWscf和CPMD。优点:可以计算材料费米面（金属）、电声耦合作用、超导性质（包括各向同性、异性超导特征）、功能模块化（易于添加新模块）、开源免费、易于上手（有专门的后处理程序包PP）等特征。缺点:同种原子贋势种类多、多组份化合物中的各元素贋势较难凑齐、vc-relax特慢等。从5.0-version 开始，QE官方开始进行模块化发布形式，其源码包仅包含最基本的PW（电子自洽计算模块）、CP（分子动力学模块）、PP（后续数据处理模块）三大最常用的功能模块。其余模块有，比如说做贋势的Atomic,算声子的PHonon,计算过渡态的NEB，计算输运性质的PWcond.x模块等等(WANNIER90,WanT,Xspectra, GIPAW)。其贋势主要分为两大类：模守恒贋势NC(60-120Ry)和超软贋势USPP(30-100Ry)。其贋势的格式为*.UPF，其中后缀UPF全称为Unified Pseudopotential File.