dceresoli qe-gipaw issues

dceresoli / qe-gipaw

QE-GIPAW for Quantum-Espresso (official repository)

GNU General Public License v2.0

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issues

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How to use the calculated results to simulate the EPR spectrum?

#21 mlei012 opened 3 weeks ago
0
Cannot compile with qe 7.2

#20 PelikanAA opened 3 months ago
1
Fails to compile with QE 7.3.1

#19 Crivella closed 3 months ago
5
Can we compile GIPAW in QE using NVHPC Toolkit?

#18 ramadugu opened 8 months ago
4
More calculation metadata in the .magres file

#17 jkshenton closed 9 months ago
1
Replace the "isnan" with "ieee_is_nan"

#16 dou-du closed 1 year ago
1
additional information on GIPAW-pseudopotentials

#15 LChan930 closed 1 year ago
0
Is conda installation available for qe-gipaw?

#14 tsitsvero opened 1 year ago
2
Can qe-gipaw calculate zero-field splitting now?

#13 Diversitylin opened 1 year ago
1
Builds with QE 7.0 with CUDA support

#12 ndtrung81 closed 2 years ago
2
Errors compiling on gpu cluster

#11 pablo-unzueta closed 2 years ago
1
Knight shift

#10 xtemp09 opened 2 years ago
0
Preprocessor failure with gfortran in xml_routines.f90 in 7.0

#9 zao opened 2 years ago
4
Changes since v.7.0

#8 giannozz opened 2 years ago
2
Spin–orbit effects in GIPAW?

#7 chrinide closed 3 years ago
1
Source compatible to QE6.4

#6 dumindasamarakoon closed 5 years ago
2
WIP: twfcollect has been removed in the develop branch

#5 bonfus closed 5 years ago
1
Diagonalization methods mixed up?

#4 kangaroocry closed 5 years ago
5
unit of the input geometry

#3 felixmusil opened 6 years ago
2
source compatible with QE 6.1

#2 felixmusil closed 6 years ago
8
Fails to compile with QE 6.2

#1 stur86 closed 6 years ago
4