Skip to content

Update berryphase.cpp #3876

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Merged
mohanchen merged 3 commits into from
Apr 2, 2024
Merged

Update berryphase.cpp #3876

Changes from all commits
Commits
Show all changes
3 commits
Select commit Hold shift + click to select a range
cf9e4a5
Update berryphase.cpp
Pureorangeade Apr 1, 2024
023a79c
Merge pull request #1 from Pureorangeade/Pureorangeade-patch-2
Pureorangeade Apr 1, 2024
176dc4a
Update berryphase.cpp
Pureorangeade Apr 1, 2024
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
6 changes: 3 additions & 3 deletions source/module_io/berryphase.cpp
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -239,8 +239,8 @@ double berryphase::stringPhase(int index_str,
{
std::complex<double> zeta(1.0, 0.0);
ModuleBase::ComplexMatrix mat(nbands,nbands);
int ik_1;
int ik_2;
int ik_1 = 0;
int ik_2 = 0;
ModuleBase::Vector3<double> G(0.0,0.0,0.0);
ModuleBase::Vector3<double> dk = kv.kvec_c[ k_index[index_str][1] ] - kv.kvec_c[ k_index[index_str][0] ];
//GlobalV::ofs_running << "the std::string index is " << index_str << std::endl;
Expand Down Expand Up @@ -577,7 +577,7 @@ void berryphase::Macroscopic_polarization(const int npwx,
// ion polarization end

// calculate Macroscopic polarization modulus because berry phase
int modulus;
int modulus = 0;
if( (!lodd) && (GlobalV::NSPIN==1) ) modulus = 2;
else modulus = 1;

Expand Down