salmon-users_ml

Dear Salmon User(s), I hope this email will find you well. I got the following error message when I

Dear Yamada-san, Thank you very much for your advice .... I will try a little trial and error. Best

Dear SALMON users and developers, I am completely new to using SALMON, and my questions are very

Dear Yamada, Changing nstate to nelec/2 actually worked. The code prints the wave function with the

Dear Rasheed, It seems to me that your MPI Fortran is not properly installed or not added into path.

Dear Miura-san, I fixed the bug of SALMON. This latest version can generate force files for each

Dear Trung, I appreciate your help and quick response. Thank you. The build was successful and the

Dear salmon users and developers I am trying to study optical response of Na clusters with inversion

Dear Yamada-san and Tani-san, I tried switching the coordinate system between al_vec1 and al_vec2,

Hi Atsushi, Thank you for confirming the solution and explaining to me the fundamentals behind it.

Dear Atsushi, Thanks a lot for the explanation! Best Regards, Peng On Mon, Oct 23, 2023 at 10:35 PM

Hi Salmon developers and users, I am currently compiling the SALMON-Code 2.2.0 with the newest gcc

山田俊介先生 アドバイスと参考資料、ありがとうございます。 num_kgrid=4,4,4でnum_rgridを大きくするという対処をして、クリストバライトについて基底状態計算を行った結果、初めて適切な

Dear All, I am able to finally run the calculation successfully. Unfortunately, with the default

Dear all, I would like to calculate the Excited electron density as a function of electron

Dear Prof. Yamada Thank you for your advice. I will continue with the calculations based on what you

Dear Sruthil Lal SB, The input file you attached looks those prepared for SALMON ver.1. For example,

Dear Chen-san, Thank you for sharing the error and input file. Maybe that is an unintended behavior

Dear Shunsuke-san, Thank you for your quick reply and the info. I appreciate it very much. Have a

Dear user, I think there are several possible reasons. As you said, the pseudopotential type is one

Dear. Salmon users This is Kawase, I asked a question about graphene calculation at the end of last

Dear. Salmon users I am Masaya Kawase, Nagahama Institute of Bio-science and Technology Currently, I

Salmonの皆様はじめまして。 長浜バイオ大の川瀬と申します。 現在、軽元素置換graphene等の電子状態計算を、Quantum espressoなどを使って行っております。 最近、Salmonの

Dear SALMON developers, I had trouble in compiling SALMON using intel oneAPI 2022.3 base and hpc kits

Dear Sri-san, In SALMON code, non-orthogonal cells such as primitive unit cell can be used by input

Dear Takeuchi-san, Thank you for your reply. I might prepare linux. MacOS is based on darwin but it

Dear Takeuchi-san, Thank you for the attached file. I can generate movie file with the attached file.

Dear Yue Lang-san, Sorry for the inconvenience. GNU Makefile is currently not well tested because it

Dear Shunsuke, It worked well. Thanks a lot! Elena Le 07/04/2022 à 03:43, 山田俊介 a écrit : Hello! That

Hi Admin, kindly accept my membership request and allow me to get a reply to my query on installation