Paolo Giannozzi d1afb97695 Fix noncolinear tests. ... After the last change allowing noncolinear calculations with no magnetism, non-scf and noncolinear band calculations must be done with the same starting magnetization as for the scf case, or else the code will compute bands that are not consistent with scf. I simply fixed the inputs but this way of initializing non-scf and band calculations is confusing and error-prone. What is worse, it is conceptually wrong, and not only in this specific case: non-scf and band calculations should read only information on how to compute wavefunctions (number of bands, smearing, k-points, etc.) from input; everything else should be read from data file (atomic positions and Fermi energies are already read from data file).		2020-02-01 09:06:44 +01:00
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benchmark.out.git.inp=noncolin-1.in	Reference to SVN in the names of test-suite benchmark files and in the	2018-07-18 15:15:46 +02:00
benchmark.out.git.inp=noncolin-2.in	Reference to SVN in the names of test-suite benchmark files and in the	2018-07-18 15:15:46 +02:00
benchmark.out.git.inp=noncolin-cg.in	Reference to SVN in the names of test-suite benchmark files and in the	2018-07-18 15:15:46 +02:00
benchmark.out.git.inp=noncolin-constrain_angle.in	Reference to SVN in the names of test-suite benchmark files and in the	2018-07-18 15:15:46 +02:00
benchmark.out.git.inp=noncolin-constrain_atomic.in	Reference to SVN in the names of test-suite benchmark files and in the	2018-07-18 15:15:46 +02:00
benchmark.out.git.inp=noncolin-constrain_total.in	Reference to SVN in the names of test-suite benchmark files and in the	2018-07-18 15:15:46 +02:00
benchmark.out.git.inp=noncolin-hyb.in	Treatment of fractional translations significantly changed. Before:	2018-08-26 21:24:12 +02:00
benchmark.out.git.inp=noncolin-pbe.in	Noncolinear stress with GGA wasn't correct with nonzero magnetization	2020-01-12 14:33:21 +01:00
benchmark.out.git.inp=noncolin.in	Reference to SVN in the names of test-suite benchmark files and in the	2018-07-18 15:15:46 +02:00
noncolin-1.in	Fix noncolinear tests.	2020-02-01 09:06:44 +01:00
noncolin-2.in	Fix noncolinear tests.	2020-02-01 09:06:44 +01:00
noncolin-cg.in	Initial commit test-suite based on TESTCODE, v0.9.6. Pre-computed reference benchmarks, revision 11920.	2015-12-26 19:40:22 +00:00
noncolin-constrain_angle.in	Initial commit test-suite based on TESTCODE, v0.9.6. Pre-computed reference benchmarks, revision 11920.	2015-12-26 19:40:22 +00:00
noncolin-constrain_atomic.in	Initial commit test-suite based on TESTCODE, v0.9.6. Pre-computed reference benchmarks, revision 11920.	2015-12-26 19:40:22 +00:00
noncolin-constrain_total.in	Initial commit test-suite based on TESTCODE, v0.9.6. Pre-computed reference benchmarks, revision 11920.	2015-12-26 19:40:22 +00:00
noncolin-hyb.in	Initial commit test-suite based on TESTCODE, v0.9.6. Pre-computed reference benchmarks, revision 11920.	2015-12-26 19:40:22 +00:00
noncolin-pbe.in	[skip ci] add test for pbe noncolin magnetic case	2019-11-02 21:30:31 +01:00
noncolin.in	Initial commit test-suite based on TESTCODE, v0.9.6. Pre-computed reference benchmarks, revision 11920.	2015-12-26 19:40:22 +00:00