Dear QE users and developers, I am trying to convert dacapo pp file to upf. Firstly, I try to use reform.x to change binary file of Dacapo to text file and change it back to binary again. Then, I try to use uspp2upf.x to convert it to upf. I see the error: " ?At line 42 of file vanderbilt.f90 (unit = 1, file = '/home/users/dinhloc1984/back_up/campos-dacapo-pseudopotentials-2/psp/V/PZ/V_us_pz_13elec.txt') Fortran runtime error: End of file"?
Can uspp2upf.x change Dacapo PP to UPF? I see a recommendation in QE forum. (http://www.democritos.it/pipermail/pw_forum/2007-July/006904.html)? ? I try to get Vanadium PP with ultrasoft potential performed by LDA. I can not get it in QE website. Could anyone give me PP of Vanadium? I am sorry to ask you about this since I have no experience in PP generation.? Thank you for all you help.? ?? Best regards, ----------------------------------------------- Dinh Loc Duong , Ph.D Center for Integrated Nanostructured Physics, Institute of Basic Science, Sungkyunkwan Advanced Institute of Nanotechnology Department of Energy Science Sungkyunkwan University, Suwon, 440-746, Korea Email: mambom1902 at yahoo.com, ddloc at skku.edu -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130305/aaf0f5ca/attachment.html
