Ti

Atompaw input Atompaw output Comments Datasets
Ti.in Ti Author: Jamie Drewery Ti.LDA-PW-paw.xml.gz
Ti.LDA-PW-paw.abinit.gz
Ti.LDA-PW-paw.UPF.gz
Ti.atomicdata.gz


Tests

Material Structure Atomic datasets Binding plot Binding data
TiC NaCl structure
Fm -3m (#225)
Small core Ti
Large core C
TiC plot TiC data