Hello all,<div><br /></div><div>I am using cpk2k 2026.1 to test some old runs in cp2k 7.1 which worked before. However it keep showing error of:</div><div><p style="margin: 0px; font-width: normal; font-size: 15px; line-height: normal; font-family: Menlo; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal; color: rgb(224, 224, 224); background-color: rgba(25, 29, 39, 0.95);"><span style="font-variant-ligatures: no-common-ligatures;">The requested atomic potential <GTH-PBE-q6> for element <O> was not *</span></p> <p style="margin: 0px; font-width: normal; font-size: 15px; line-height: normal; font-family: Menlo; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal; color: rgb(224, 224, 224); background-color: rgba(25, 29, 39, 0.95);"><span style="font-variant-ligatures: no-common-ligatures;"> * \___/ found in the potential file</span></p><p style="margin: 0px; font-width: normal; font-size: 15px; line-height: normal; font-family: Menlo; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal; color: rgb(224, 224, 224); background-color: rgba(25, 29, 39, 0.95);"><br /></p><br />I have checked the GTH-POTENTIAL file and O is there, and format is correct. I even removed O and it will show error for the next element not found. not sure why. I also copied the new GTH-POTENTAIL file from the data folder, but did not resolve this error. Any advise will be helpful! Here is more information on how that part is set up:</div><div><br /></div><div><p style="margin: 0px; font-width: normal; font-size: 15px; line-height: normal; font-family: Menlo; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal; color: rgb(224, 224, 224); background-color: rgba(25, 29, 39, 0.95);"><br /></p> <p style="margin: 0px; font-width: normal; font-size: 15px; line-height: normal; font-family: Menlo; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal; color: rgb(224, 224, 224); background-color: rgba(25, 29, 39, 0.95);"><span style="font-variant-ligatures: no-common-ligatures;">POTENTIAL_FILE_NAME /home/cp2k-2026.1/data/GTH_POTENTIALS</span></p> <p style="margin: 0px; font-width: normal; font-size: 15px; line-height: normal; font-family: Menlo; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal; color: rgb(224, 224, 224); background-color: rgba(25, 29, 39, 0.95); min-height: 18px;"><span style="font-variant-ligatures: no-common-ligatures;"></span><br /></p> <br /></div><div><p style="margin: 0px; font-width: normal; font-size: 15px; line-height: normal; font-family: Menlo; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal; color: rgb(224, 224, 224); background-color: rgba(25, 29, 39, 0.95);"><span style="font-variant-ligatures: no-common-ligatures;"> &KIND O</span></p> <p style="margin: 0px; font-width: normal; font-size: 15px; line-height: normal; font-family: Menlo; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal; color: rgb(224, 224, 224); background-color: rgba(25, 29, 39, 0.95);"><span style="font-variant-ligatures: no-common-ligatures;"> BASIS_SET DZVP-MOLOPT-SR-GTH</span></p> <p style="margin: 0px; font-width: normal; font-size: 15px; line-height: normal; font-family: Menlo; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal; color: rgb(224, 224, 224); background-color: rgba(25, 29, 39, 0.95);"><span style="font-variant-ligatures: no-common-ligatures;"> POTENTIAL GTH-PBE-q6</span></p> <p style="margin: 0px; font-width: normal; font-size: 15px; line-height: normal; font-family: Menlo; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal; color: rgb(224, 224, 224); background-color: rgba(25, 29, 39, 0.95);"><span style="font-variant-ligatures: no-common-ligatures;"> &END KIND</span></p> <br /></div> <p></p> -- <br /> You received this message because you are subscribed to the Google Groups "cp2k" group.<br /> To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com">cp2k+unsubscribe@googlegroups.com</a>.<br /> To view this discussion visit <a href="https://groups.google.com/d/msgid/cp2k/4b6f41c0-5533-4e07-81e4-76e4be94bcb6n%40googlegroups.com?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/4b6f41c0-5533-4e07-81e4-76e4be94bcb6n%40googlegroups.com</a>.<br />