ALGO=scGW or ALGO=QPGW with VASP 6.x.x
Posted: Thu Jun 17, 2021 6:26 am
Hi there.
I have found in the VASP wiki manual that GW tags scGW and scGW0 (VASP version <5.2.12) are renamed to QPGW and QPGW0 respectively in VASP version >= 5.2.12, < 6. What concerns VASP versions >=6 the table there says that these GW tags "N/A". What does this mean? Does it mean that these tags should not be used with VASP versions >=6? See wiki/index.php/ALGO
The VASP test suite includes 12 tests using scGW or scGW0. Should the test be excluded in the light of the above?
I have some issues with stability of the tests in GW part using hybrid MPI-OMP VASP 6.2.0 binaries. Sometimes they pass, sometimes fail in random, hence the question.
I have found in the VASP wiki manual that GW tags scGW and scGW0 (VASP version <5.2.12) are renamed to QPGW and QPGW0 respectively in VASP version >= 5.2.12, < 6. What concerns VASP versions >=6 the table there says that these GW tags "N/A". What does this mean? Does it mean that these tags should not be used with VASP versions >=6? See wiki/index.php/ALGO
The VASP test suite includes 12 tests using scGW or scGW0. Should the test be excluded in the light of the above?
I have some issues with stability of the tests in GW part using hybrid MPI-OMP VASP 6.2.0 binaries. Sometimes they pass, sometimes fail in random, hence the question.