Changelog - Revision history

Vaspmaster: /* BUGFIX */

2025-03-18T13:56:12Z

BUGFIX

← Older revision		Revision as of 13:56, 18 March 2025
Line 69:		Line 69:
	* There was a (small) memory leak in the use of HDF5. This [[Known_issues#KnownIssue37 \| issue]] has been fixed.		* There was a (small) memory leak in the use of HDF5. This [[Known_issues#KnownIssue37 \| issue]] has been fixed.

	* In case the HF exchange was activated via the {{TAG\|LTHOMAS}} tag, VASP wrongly kept {{~~TAG0~~\|IMIX\|4}}. Now {{TAGO\|IMIX\|1}} is used.		* In case the HF exchange was activated via the {{TAG\|LTHOMAS}} tag, VASP wrongly kept {{TAGO\|IMIX\|4}}. Now {{TAGO\|IMIX\|1}} is used.

	* The OpenACC version crashed when compiled with python plugin support (<tt>-DPLUGINS,</tt>). This [[Known_issues#KnownIssue30 \| issue]] is fixed and the python plugins are now fully supported in the OpenACC version as well.		* The OpenACC version crashed when compiled with python plugin support (<tt>-DPLUGINS,</tt>). This [[Known_issues#KnownIssue30 \| issue]] is fixed and the python plugins are now fully supported in the OpenACC version as well.

Vaspmaster: /* BUGFIX */

2025-03-18T13:55:41Z

BUGFIX

← Older revision		Revision as of 13:55, 18 March 2025
Line 71:		Line 71:
	* In case the HF exchange was activated via the {{TAG\|LTHOMAS}} tag, VASP wrongly kept {{TAG0\|IMIX\|4}}. Now {{TAGO\|IMIX\|1}} is used.		* In case the HF exchange was activated via the {{TAG\|LTHOMAS}} tag, VASP wrongly kept {{TAG0\|IMIX\|4}}. Now {{TAGO\|IMIX\|1}} is used.

	* The OpenACC version crashed when compiled with python plugin support (<tt>-DPLUGINS,<tt>). This [[Known_issues#KnownIssue30 \| issue]] is fixed and the python plugins are now fully supported in the OpenACC version as well.		* The OpenACC version crashed when compiled with python plugin support (<tt>-DPLUGINS,</tt>). This [[Known_issues#KnownIssue30 \| issue]] is fixed and the python plugins are now fully supported in the OpenACC version as well.

	* For {{TAGO\|IBRION\|12}} or {{TAGO\|PLUGINS/STRUCTURE\|True}} (i.e. using the python structure plugin) the updated structures were not written to {{FILE\|XDATCAR}}. This [[Known_issues#KnownIssue38 \| issue]] has been fixed.		* For {{TAGO\|IBRION\|12}} or {{TAGO\|PLUGINS/STRUCTURE\|True}} (i.e. using the python structure plugin) the updated structures were not written to {{FILE\|XDATCAR}}. This [[Known_issues#KnownIssue38 \| issue]] has been fixed.

	* The combination of {{TAGO\|~~PLUGIN~~/STRUCTURE\|True}} and {{TAGO\|ML_MODE\|run}} caused the code to crash. This [[Known_issues#KnownIssue36 \| issue]] is fixed.		* The combination of {{TAGO\|PLUGINS/STRUCTURE\|True}} and {{TAGO\|ML_MODE\|run}} caused the code to crash. This [[Known_issues#KnownIssue36 \| issue]] is fixed.

	* {{TAG\|ML_MODE\|train}} was broken when running on multiple nodes ''and'' using shared memory (<tt>-Duse_shmem</tt>). This [[Known_issues#KnownIssue28 \| issue]] is fixed.		* {{TAG\|ML_MODE\|train}} was broken when running on multiple nodes ''and'' using shared memory (<tt>-Duse_shmem</tt>). This [[Known_issues#KnownIssue28 \| issue]] is fixed.

Vaspmaster: /* BUGFIX */

2025-03-18T13:52:03Z

BUGFIX

← Older revision		Revision as of 13:52, 18 March 2025
Line 69:		Line 69:
	* There was a (small) memory leak in the use of HDF5. This [[Known_issues#KnownIssue37 \| issue]] has been fixed.		* There was a (small) memory leak in the use of HDF5. This [[Known_issues#KnownIssue37 \| issue]] has been fixed.

	* In case the HF exchange was activated via the LTHOMAS tag, VASP wrongly kept IMIX=4. Now IMIX=1 is used.		* In case the HF exchange was activated via the {{TAG\|LTHOMAS}} tag, VASP wrongly kept {{TAG0\|IMIX\|4}}. Now {{TAGO\|IMIX\|1}} is used.

	* The OpenACC version crashed when compiled with python plugin support (-DPLUGINS). This [[Known_issues#KnownIssue30 \| issue]] is fixed and the python plugins are now fully supported in the OpenACC version as well.		* The OpenACC version crashed when compiled with python plugin support (<tt>-DPLUGINS,<tt>). This [[Known_issues#KnownIssue30 \| issue]] is fixed and the python plugins are now fully supported in the OpenACC version as well.

	* For IBRION=12 or PLUGINS/STRUCTURE ~~= T~~ (i.e. using the python structure plugin) the updated structures were not written to XDATCAR. This [[Known_issues#KnownIssue38 \| issue]] has been fixed.		* For {{TAGO\|IBRION\|12}} or {{TAGO\|PLUGINS/STRUCTURE\|True}} (i.e. using the python structure plugin) the updated structures were not written to {{FILE\|XDATCAR}}. This [[Known_issues#KnownIssue38 \| issue]] has been fixed.

	* The combination of PLUGIN/STRUCTURE=T and ML_MODE=run caused the code to crash. This [[Known_issues#KnownIssue36 \| issue]] is fixed.		* The combination of {{TAGO\|PLUGIN/STRUCTURE\|True}} and {{TAGO\|ML_MODE\|run}} caused the code to crash. This [[Known_issues#KnownIssue36 \| issue]] is fixed.

	* ML_MODE = train was broken when running on multiple nodes ''and'' using shared memory (-Duse_shmem). This [[Known_issues#KnownIssue28 \| issue]] is fixed.		* {{TAG\|ML_MODE\|train}} was broken when running on multiple nodes ''and'' using shared memory (<tt>-Duse_shmem</tt>). This [[Known_issues#KnownIssue28 \| issue]] is fixed.

	* Fixed broken ML_FF version check in VASPml; was unable to read ML_FFs from VASP 6.5.0 (earlier versions work).		* Fixed broken ML_FF version check in VASPml; was unable to read ML_FFs from VASP 6.5.0 (earlier versions work).

	* ML_IERR was deprecated in favor of new tag name ML_ESTBLOCK. This fixes "grepping" for ERR in ML_LOGFILE (old tag still works).		* {{TAG\|ML_IERR}} was deprecated in favor of new tag name {{TAG\|ML_ESTBLOCK}}. This fixes "grepping" for <tt>ERR</tt> in {{FILE\|ML_LOGFILE}} (old tag still works).

	* The output of the total energy to the OUTCAR was wrong when running ML_MODE=train with ALGO~~=all~~. This [[Known_issues#KnownIssue39 \| issue]] issue has been fixed.		* The output of the total energy to the {{FILE\|OUTCAR}} was wrong when running {{TAGO\|ML_MODE\|train}} with {{TAGO\|ALGO\|A}}. This [[Known_issues#KnownIssue39 \| issue]] issue has been fixed.

	* Fixed an incorrectly sized spline grid that sometimes led to wrong force predictions by VASPml.		* Fixed an incorrectly sized spline grid that sometimes led to wrong force predictions by VASPml.

Vaspmaster: /* BUGFIX */

2025-03-18T13:47:09Z

BUGFIX

← Older revision		Revision as of 13:47, 18 March 2025
Line 63:		Line 63:
	* The {{TAG\|LATTICE_CONSTRAINTS}} were not applied correctly for {{TAGO\|ISIF\|4, 5}}. This [[Known_issues#KnownIssue34 \| issue]] has been fixed.		* The {{TAG\|LATTICE_CONSTRAINTS}} were not applied correctly for {{TAGO\|ISIF\|4, 5}}. This [[Known_issues#KnownIssue34 \| issue]] has been fixed.

	* For ISIF = 4, 5, ~~and~~ 6, the header of the XDATCAR file was written twice. This has been fixed.		* For {{TAGO\|ISIF\|4, 5, 6}}, the header of the {{FILE\|XDATCAR}} file was written twice. This has been fixed.

	* The truncated Coulomb kernel method for 2D systems only worked correctly if the cell was twice as large as the thickness of the slab. This requirement was imposed by the 2D Ewald summation, where minimum image convention was used in the aperiodic dimension. This requirement has now been removed by setting the distance between two atoms to not follow if the minimum image convention if it is 2D boundary conditions. This [[Known_issues#KnownIssue37 \| issue]] is fixed.		* The truncated Coulomb kernel method for 2D systems only worked correctly if the cell was twice as large as the thickness of the slab. This requirement was imposed by the 2D Ewald summation, where minimum image convention was used in the aperiodic dimension. This requirement has now been removed by setting the distance between two atoms to not follow if the minimum image convention if it is 2D boundary conditions. This [[Known_issues#KnownIssue37 \| issue]] is fixed.

Vaspmaster: /* BUGFIX */

2025-03-18T13:46:02Z

BUGFIX

← Older revision		Revision as of 13:46, 18 March 2025
Line 61:		Line 61:
	* VASP no longer crashes when running {{TAGO\|ELPH_POT_GENERATE\|True}} without specifying the FFT grid via {{TAG\|ELPH_POT_FFT_MESH}}.		* VASP no longer crashes when running {{TAGO\|ELPH_POT_GENERATE\|True}} without specifying the FFT grid via {{TAG\|ELPH_POT_FFT_MESH}}.

	* The LATTICE_CONSTRAINTS were not applied correctly for ISIF=4 ~~and~~ 5. This [[Known_issues#KnownIssue34 \| issue]] has been fixed.		* The {{TAG\|LATTICE_CONSTRAINTS}} were not applied correctly for {{TAGO\|ISIF\|4, 5}}. This [[Known_issues#KnownIssue34 \| issue]] has been fixed.

	* For ISIF = 4, 5, and 6, the header of the XDATCAR file was written twice. This has been fixed.		* For ISIF = 4, 5, and 6, the header of the XDATCAR file was written twice. This has been fixed.

Mani: /* BUGFIX */

2025-03-13T12:59:46Z

BUGFIX

← Older revision		Revision as of 12:59, 13 March 2025
Line 57:		Line 57:
	* The feature to compute the transport function using {{TAG\|ELPH_TRANSPORT_NEDOS_PLOT}} was broken. This has been fixed.		* The feature to compute the transport function using {{TAG\|ELPH_TRANSPORT_NEDOS_PLOT}} was broken. This has been fixed.

	* Electron-phonon code crashed for ~~elph_mode=~~renorm. This [[Known_issues#KnownIssue35 \| issue]] is fixed.		* Electron-phonon code crashed for {{TAGO\|ELPH_MODE\|renorm}}. This [[Known_issues#KnownIssue35 \| issue]] is fixed.

	* VASP no longer crashes when running ~~elph_pot_generate=~~True without specifying the FFT grid.		* VASP no longer crashes when running {{TAGO\|ELPH_POT_GENERATE\|True}} without specifying the FFT grid via {{TAG\|ELPH_POT_FFT_MESH}}.

	* The LATTICE_CONSTRAINTS were not applied correctly for ISIF=4 and 5. This [[Known_issues#KnownIssue34 \| issue]] has been fixed.		* The LATTICE_CONSTRAINTS were not applied correctly for ISIF=4 and 5. This [[Known_issues#KnownIssue34 \| issue]] has been fixed.

Vaspmaster: /* BUGFIX */

2025-03-13T12:48:16Z

BUGFIX

← Older revision		Revision as of 12:48, 13 March 2025
Line 55:		Line 55:
	* {{TAG\|BSEPREC}} was overwritten for {{TAGO\|IBSE\|3}}. This has been fixed.		* {{TAG\|BSEPREC}} was overwritten for {{TAGO\|IBSE\|3}}. This has been fixed.

	* The feature to compute the transport function using ELPH_TRANSPORT_NEDOS_PLOT was broken. This has been fixed.		* The feature to compute the transport function using {{TAG\|ELPH_TRANSPORT_NEDOS_PLOT}} was broken. This has been fixed.

	* Electron-phonon code crashed for elph_mode=renorm. This [[Known_issues#KnownIssue35 \| issue]] is fixed.		* Electron-phonon code crashed for elph_mode=renorm. This [[Known_issues#KnownIssue35 \| issue]] is fixed.

Vaspmaster: /* BUGFIX */

2025-03-13T12:47:44Z

BUGFIX

← Older revision		Revision as of 12:47, 13 March 2025
Line 53:		Line 53:
	* BSE crashed for {{TAGO\|IBSE\|3}} with the gamma-only version. This has been fixed.		* BSE crashed for {{TAGO\|IBSE\|3}} with the gamma-only version. This has been fixed.

	* BSEPREC was overwritten for IBSE=3. This has been fixed.		* {{TAG\|BSEPREC}} was overwritten for {{TAGO\|IBSE\|3}}. This has been fixed.

	* The feature to compute the transport function using ELPH_TRANSPORT_NEDOS_PLOT was broken. This has been fixed.		* The feature to compute the transport function using ELPH_TRANSPORT_NEDOS_PLOT was broken. This has been fixed.

Vaspmaster: /* BUGFIX */

2025-03-13T12:46:52Z

BUGFIX

← Older revision		Revision as of 12:46, 13 March 2025
Line 49:		Line 49:
	* BSE crashed on GPUs with <tt>-DCUSOLVERMP</tt> and <tt>-DCUBLASMP</tt> when {{TAG\|OMEGAMAX}} was set. This [[Known_issues#KnownIssue27 \| issue]] is fixed.		* BSE crashed on GPUs with <tt>-DCUSOLVERMP</tt> and <tt>-DCUBLASMP</tt> when {{TAG\|OMEGAMAX}} was set. This [[Known_issues#KnownIssue27 \| issue]] is fixed.

	* The computation of the dielectric function was not correctly implemented for finite q in IBSE=1,3.		* The computation of the dielectric function was not correctly implemented for finite-q in {{TAGO\|IBSE\|1,3}}.

	* BSE crashed in IBSE=3 ~~for~~ gamma-only. This has been fixed.		* BSE crashed for {{TAGO\|IBSE\|3}} with the gamma-only version. This has been fixed.

	* BSEPREC was overwritten for IBSE=3. This has been fixed.		* BSEPREC was overwritten for IBSE=3. This has been fixed.

Vaspmaster: /* BUGFIX */

2025-03-13T12:45:33Z

BUGFIX

← Older revision		Revision as of 12:45, 13 March 2025
Line 41:		Line 41:
	* SERTA is now correctly listed as "self-energy relaxation-time approximation" in {{FILE\|OUTCAR}}.		* SERTA is now correctly listed as "self-energy relaxation-time approximation" in {{FILE\|OUTCAR}}.

	* The wannier90 UNK files were not correctly written for non-collinear magnetic calculations. This [[Known_issues#KnownIssue31 \| issue]] is fixed.		* The <tt>wannier90.UNK</tt> files were not correctly written for non-collinear magnetic calculations. This [[Known_issues#KnownIssue31 \| issue]] is fixed.

	* If both {{TAGO\|ISPIN\|2}} and {{TAGO\|LNONCOLLINEAR\|True}} (or {{TAGO\|LSORBIT\|True}}) were set in the INCAR, the code would stop with an error message (something about the number of entries for {{TAG\|MAGMOM}} being wrong). This [[Known_issues#KnownIssue26 \| issue]] is fixed: {{TAGO\|LNONCOLLINEAR\|True}} will now take precedence over {{TAGO\|ISPIN\|2}} (and the latter will default back to {{TAGO\|ISPIN\|1}} internally).		* If both {{TAGO\|ISPIN\|2}} and {{TAGO\|LNONCOLLINEAR\|True}} (or {{TAGO\|LSORBIT\|True}}) were set in the INCAR, the code would stop with an error message (something about the number of entries for {{TAG\|MAGMOM}} being wrong). This [[Known_issues#KnownIssue26 \| issue]] is fixed: {{TAGO\|LNONCOLLINEAR\|True}} will now take precedence over {{TAGO\|ISPIN\|2}} (and the latter will default back to {{TAGO\|ISPIN\|1}} internally).

← Older revision		Revision as of 13:56, 18 March 2025
Line 69:		Line 69:
	* There was a (small) memory leak in the use of HDF5. This [[Known_issues#KnownIssue37 \| issue]] has been fixed.		* There was a (small) memory leak in the use of HDF5. This [[Known_issues#KnownIssue37 \| issue]] has been fixed.

	* In case the HF exchange was activated via the {{TAG\|LTHOMAS}} tag, VASP wrongly kept {{~~TAG0~~\|IMIX\|4}}. Now {{TAGO\|IMIX\|1}} is used.		* In case the HF exchange was activated via the {{TAG\|LTHOMAS}} tag, VASP wrongly kept {{TAGO\|IMIX\|4}}. Now {{TAGO\|IMIX\|1}} is used.

	* The OpenACC version crashed when compiled with python plugin support (<tt>-DPLUGINS,</tt>). This [[Known_issues#KnownIssue30 \| issue]] is fixed and the python plugins are now fully supported in the OpenACC version as well.		* The OpenACC version crashed when compiled with python plugin support (<tt>-DPLUGINS,</tt>). This [[Known_issues#KnownIssue30 \| issue]] is fixed and the python plugins are now fully supported in the OpenACC version as well.

← Older revision		Revision as of 13:55, 18 March 2025
Line 71:		Line 71:
	* In case the HF exchange was activated via the {{TAG\|LTHOMAS}} tag, VASP wrongly kept {{TAG0\|IMIX\|4}}. Now {{TAGO\|IMIX\|1}} is used.		* In case the HF exchange was activated via the {{TAG\|LTHOMAS}} tag, VASP wrongly kept {{TAG0\|IMIX\|4}}. Now {{TAGO\|IMIX\|1}} is used.

	* The OpenACC version crashed when compiled with python plugin support (<tt>-DPLUGINS,<tt>). This [[Known_issues#KnownIssue30 \| issue]] is fixed and the python plugins are now fully supported in the OpenACC version as well.		* The OpenACC version crashed when compiled with python plugin support (<tt>-DPLUGINS,</tt>). This [[Known_issues#KnownIssue30 \| issue]] is fixed and the python plugins are now fully supported in the OpenACC version as well.

	* For {{TAGO\|IBRION\|12}} or {{TAGO\|PLUGINS/STRUCTURE\|True}} (i.e. using the python structure plugin) the updated structures were not written to {{FILE\|XDATCAR}}. This [[Known_issues#KnownIssue38 \| issue]] has been fixed.		* For {{TAGO\|IBRION\|12}} or {{TAGO\|PLUGINS/STRUCTURE\|True}} (i.e. using the python structure plugin) the updated structures were not written to {{FILE\|XDATCAR}}. This [[Known_issues#KnownIssue38 \| issue]] has been fixed.

	* The combination of {{TAGO\|~~PLUGIN~~/STRUCTURE\|True}} and {{TAGO\|ML_MODE\|run}} caused the code to crash. This [[Known_issues#KnownIssue36 \| issue]] is fixed.		* The combination of {{TAGO\|PLUGINS/STRUCTURE\|True}} and {{TAGO\|ML_MODE\|run}} caused the code to crash. This [[Known_issues#KnownIssue36 \| issue]] is fixed.

	* {{TAG\|ML_MODE\|train}} was broken when running on multiple nodes ''and'' using shared memory (<tt>-Duse_shmem</tt>). This [[Known_issues#KnownIssue28 \| issue]] is fixed.		* {{TAG\|ML_MODE\|train}} was broken when running on multiple nodes ''and'' using shared memory (<tt>-Duse_shmem</tt>). This [[Known_issues#KnownIssue28 \| issue]] is fixed.

← Older revision		Revision as of 13:52, 18 March 2025
Line 69:		Line 69:
	* There was a (small) memory leak in the use of HDF5. This [[Known_issues#KnownIssue37 \| issue]] has been fixed.		* There was a (small) memory leak in the use of HDF5. This [[Known_issues#KnownIssue37 \| issue]] has been fixed.

	* In case the HF exchange was activated via the LTHOMAS tag, VASP wrongly kept IMIX=4. Now IMIX=1 is used.		* In case the HF exchange was activated via the {{TAG\|LTHOMAS}} tag, VASP wrongly kept {{TAG0\|IMIX\|4}}. Now {{TAGO\|IMIX\|1}} is used.

	* The OpenACC version crashed when compiled with python plugin support (-DPLUGINS). This [[Known_issues#KnownIssue30 \| issue]] is fixed and the python plugins are now fully supported in the OpenACC version as well.		* The OpenACC version crashed when compiled with python plugin support (<tt>-DPLUGINS,<tt>). This [[Known_issues#KnownIssue30 \| issue]] is fixed and the python plugins are now fully supported in the OpenACC version as well.

	* For IBRION=12 or PLUGINS/STRUCTURE ~~= T~~ (i.e. using the python structure plugin) the updated structures were not written to XDATCAR. This [[Known_issues#KnownIssue38 \| issue]] has been fixed.		* For {{TAGO\|IBRION\|12}} or {{TAGO\|PLUGINS/STRUCTURE\|True}} (i.e. using the python structure plugin) the updated structures were not written to {{FILE\|XDATCAR}}. This [[Known_issues#KnownIssue38 \| issue]] has been fixed.

	* The combination of PLUGIN/STRUCTURE=T and ML_MODE=run caused the code to crash. This [[Known_issues#KnownIssue36 \| issue]] is fixed.		* The combination of {{TAGO\|PLUGIN/STRUCTURE\|True}} and {{TAGO\|ML_MODE\|run}} caused the code to crash. This [[Known_issues#KnownIssue36 \| issue]] is fixed.

	* ML_MODE = train was broken when running on multiple nodes ''and'' using shared memory (-Duse_shmem). This [[Known_issues#KnownIssue28 \| issue]] is fixed.		* {{TAG\|ML_MODE\|train}} was broken when running on multiple nodes ''and'' using shared memory (<tt>-Duse_shmem</tt>). This [[Known_issues#KnownIssue28 \| issue]] is fixed.

	* Fixed broken ML_FF version check in VASPml; was unable to read ML_FFs from VASP 6.5.0 (earlier versions work).		* Fixed broken ML_FF version check in VASPml; was unable to read ML_FFs from VASP 6.5.0 (earlier versions work).

	* ML_IERR was deprecated in favor of new tag name ML_ESTBLOCK. This fixes "grepping" for ERR in ML_LOGFILE (old tag still works).		* {{TAG\|ML_IERR}} was deprecated in favor of new tag name {{TAG\|ML_ESTBLOCK}}. This fixes "grepping" for <tt>ERR</tt> in {{FILE\|ML_LOGFILE}} (old tag still works).

	* The output of the total energy to the OUTCAR was wrong when running ML_MODE=train with ALGO~~=all~~. This [[Known_issues#KnownIssue39 \| issue]] issue has been fixed.		* The output of the total energy to the {{FILE\|OUTCAR}} was wrong when running {{TAGO\|ML_MODE\|train}} with {{TAGO\|ALGO\|A}}. This [[Known_issues#KnownIssue39 \| issue]] issue has been fixed.

	* Fixed an incorrectly sized spline grid that sometimes led to wrong force predictions by VASPml.		* Fixed an incorrectly sized spline grid that sometimes led to wrong force predictions by VASPml.

← Older revision		Revision as of 12:59, 13 March 2025
Line 57:		Line 57:
	* The feature to compute the transport function using {{TAG\|ELPH_TRANSPORT_NEDOS_PLOT}} was broken. This has been fixed.		* The feature to compute the transport function using {{TAG\|ELPH_TRANSPORT_NEDOS_PLOT}} was broken. This has been fixed.

	* Electron-phonon code crashed for ~~elph_mode=~~renorm. This [[Known_issues#KnownIssue35 \| issue]] is fixed.		* Electron-phonon code crashed for {{TAGO\|ELPH_MODE\|renorm}}. This [[Known_issues#KnownIssue35 \| issue]] is fixed.

	* VASP no longer crashes when running ~~elph_pot_generate=~~True without specifying the FFT grid.		* VASP no longer crashes when running {{TAGO\|ELPH_POT_GENERATE\|True}} without specifying the FFT grid via {{TAG\|ELPH_POT_FFT_MESH}}.

	* The LATTICE_CONSTRAINTS were not applied correctly for ISIF=4 and 5. This [[Known_issues#KnownIssue34 \| issue]] has been fixed.		* The LATTICE_CONSTRAINTS were not applied correctly for ISIF=4 and 5. This [[Known_issues#KnownIssue34 \| issue]] has been fixed.

← Older revision		Revision as of 12:45, 13 March 2025
Line 41:		Line 41:
	* SERTA is now correctly listed as "self-energy relaxation-time approximation" in {{FILE\|OUTCAR}}.		* SERTA is now correctly listed as "self-energy relaxation-time approximation" in {{FILE\|OUTCAR}}.

	* The wannier90 UNK files were not correctly written for non-collinear magnetic calculations. This [[Known_issues#KnownIssue31 \| issue]] is fixed.		* The <tt>wannier90.UNK</tt> files were not correctly written for non-collinear magnetic calculations. This [[Known_issues#KnownIssue31 \| issue]] is fixed.

	* If both {{TAGO\|ISPIN\|2}} and {{TAGO\|LNONCOLLINEAR\|True}} (or {{TAGO\|LSORBIT\|True}}) were set in the INCAR, the code would stop with an error message (something about the number of entries for {{TAG\|MAGMOM}} being wrong). This [[Known_issues#KnownIssue26 \| issue]] is fixed: {{TAGO\|LNONCOLLINEAR\|True}} will now take precedence over {{TAGO\|ISPIN\|2}} (and the latter will default back to {{TAGO\|ISPIN\|1}} internally).		* If both {{TAGO\|ISPIN\|2}} and {{TAGO\|LNONCOLLINEAR\|True}} (or {{TAGO\|LSORBIT\|True}}) were set in the INCAR, the code would stop with an error message (something about the number of entries for {{TAG\|MAGMOM}} being wrong). This [[Known_issues#KnownIssue26 \| issue]] is fixed: {{TAGO\|LNONCOLLINEAR\|True}} will now take precedence over {{TAGO\|ISPIN\|2}} (and the latter will default back to {{TAGO\|ISPIN\|1}} internally).