Issues
- 0
- 5
Magnetization calculation in cyclix
#210 opened by sharm608 - 1
support for restarts from old wavefunctions
#43 opened by bernstei - 5
ASE Calculator Interface
#181 opened by tgmaxson - 10
Help with extracting band gap and band structure
#189 opened by Jiang-eat-sugar - 2
support for noncollinear magnetism
#41 opened by bernstei - 15
Segmentation fault after running the compiled sparc-x on anvil and rockfish cluster
#182 opened by Jiang-eat-sugar - 2
The energy of crystal structure from RELAX_FLAG: 2/1 is lower than that from RELAX_FLAG: 3
#178 opened by Jiang-eat-sugar - 1
What is the preferred K-point grid?
#177 opened by Jiang-eat-sugar - 8
- 7
- 6
document units of various output
#124 opened by bernstei - 4
density file atomic positions are wrong
#127 opened by bernstei - 12
Memory management for large scale AIMD
#128 opened by againsmile1 - 1
Fe2_spin_scan_gamma error
#140 opened by StevenZhangCSFM - 5
printing out wavefunctions
#130 opened by bernstei - 12
more control over hybrid functionals
#125 opened by bernstei - 0
Eggbox effect
#8 opened by phanish-suryanarayana - 11
- 3
- 3
cyclic DFT
#39 opened by akentphonon - 7
- 0
simd instructions for complex stencil not working for all versions of compilers
#53 opened by xuqimen - 1
- 4
- 2
README information on tests is out of sync
#42 opened by bernstei - 4
printing final magnetic moments
#44 opened by bernstei - 1
add support for LDA/GGA+U
#45 opened by bernstei - 0
Scaling of lattice vectors
#34 opened by phanish-suryanarayana - 1
- 1
support for charged systems
#29 opened by bernstei - 8
multi-projector PPs
#24 opened by bernstei - 2
compiling with MKL fails to find lapacke.h
#23 opened by bernstei - 1
SIMD not used for k-points
#18 opened by xuqimen - 0